----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:10:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mcm (193) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.795037915107436 0.000000000000000 0.000000000000000 b -4.897518957553718 8.482751665514803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.275618910000000 Atomic positions (fractional): *1 O 0.41165895072656 0.41165895072656 0.25000000000000 15.999 2 O 0.41165895072656 0.00000000000000 0.75000000000000 15.999 3 O 0.00000000000000 0.41165895072656 0.75000000000000 15.999 4 O 0.00000000000000 0.58834104927344 0.25000000000000 15.999 5 O 0.58834104927344 0.00000000000000 0.25000000000000 15.999 6 O 0.58834104927344 0.58834104927344 0.75000000000000 15.999 *7 O 0.82409073149010 0.00000000000000 0.14945230736397 15.999 8 O 0.17590926850990 0.17590926850990 0.14945230736397 15.999 9 O 0.00000000000000 0.82409073149010 0.14945230736397 15.999 10 O 0.00000000000000 0.17590926850990 0.64945230736397 15.999 11 O 0.17590926850990 0.17590926850990 0.35054769263603 15.999 12 O 0.17590926850990 0.00000000000000 0.64945230736397 15.999 13 O 0.82409073149010 0.82409073149010 0.64945230736397 15.999 14 O 0.17590926850990 0.00000000000000 0.85054769263603 15.999 15 O 0.00000000000000 0.17590926850990 0.85054769263603 15.999 16 O 0.00000000000000 0.82409073149010 0.35054769263603 15.999 17 O 0.82409073149010 0.00000000000000 0.35054769263603 15.999 18 O 0.82409073149010 0.82409073149010 0.85054769263603 15.999 *19 O 0.32214694065326 0.47925583997634 0.09021269997338 15.999 20 O 0.15710889932308 0.67785305934674 0.09021269997338 15.999 21 O 0.52074416002366 0.84289110067692 0.09021269997338 15.999 22 O 0.47925583997634 0.15710889932308 0.59021269997338 15.999 23 O 0.67785305934674 0.15710889932308 0.40978730002662 15.999 24 O 0.67785305934674 0.52074416002366 0.59021269997338 15.999 25 O 0.84289110067692 0.32214694065326 0.59021269997338 15.999 26 O 0.15710889932308 0.47925583997634 0.90978730002662 15.999 27 O 0.52074416002366 0.67785305934674 0.90978730002662 15.999 28 O 0.47925583997634 0.32214694065326 0.40978730002662 15.999 29 O 0.84289110067692 0.52074416002366 0.40978730002662 15.999 30 O 0.32214694065326 0.84289110067692 0.90978730002662 15.999 31 O 0.67785305934674 0.52074416002366 0.90978730002662 15.999 32 O 0.84289110067692 0.32214694065326 0.90978730002662 15.999 33 O 0.47925583997634 0.15710889932308 0.90978730002662 15.999 34 O 0.52074416002366 0.84289110067692 0.40978730002662 15.999 35 O 0.32214694065326 0.84289110067692 0.59021269997338 15.999 36 O 0.32214694065326 0.47925583997634 0.40978730002662 15.999 37 O 0.67785305934674 0.15710889932308 0.09021269997338 15.999 38 O 0.15710889932308 0.47925583997634 0.59021269997338 15.999 39 O 0.52074416002366 0.67785305934674 0.59021269997338 15.999 40 O 0.47925583997634 0.32214694065326 0.09021269997338 15.999 41 O 0.84289110067692 0.52074416002366 0.09021269997338 15.999 42 O 0.15710889932308 0.67785305934674 0.40978730002662 15.999 *43 Si 0.65778416782317 0.00000000000000 0.14234707314231 28.085 44 Si 0.34221583217683 0.34221583217683 0.14234707314231 28.085 45 Si 0.00000000000000 0.65778416782317 0.14234707314231 28.085 46 Si 0.00000000000000 0.34221583217683 0.64234707314231 28.085 47 Si 0.34221583217683 0.34221583217683 0.35765292685769 28.085 48 Si 0.34221583217683 0.00000000000000 0.64234707314231 28.085 49 Si 0.65778416782317 0.65778416782317 0.64234707314231 28.085 50 Si 0.34221583217683 0.00000000000000 0.85765292685769 28.085 51 Si 0.00000000000000 0.34221583217683 0.85765292685769 28.085 52 Si 0.00000000000000 0.65778416782317 0.35765292685769 28.085 53 Si 0.65778416782317 0.00000000000000 0.35765292685769 28.085 54 Si 0.65778416782317 0.65778416782317 0.85765292685769 28.085 *55 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 *56 K 0.33289853062413 0.33289853062413 0.90821830316218 39.098 57 K 0.33289853062413 0.00000000000000 0.40821830316218 39.098 58 K 0.00000000000000 0.33289853062413 0.40821830316218 39.098 59 K 0.00000000000000 0.66710146937587 0.90821830316218 39.098 60 K 0.66710146937587 0.00000000000000 0.90821830316218 39.098 61 K 0.33289853062413 0.33289853062413 0.59178169683782 39.098 62 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *63 K 0.33333333333333 0.66666666666667 0.25000000000000 39.098 64 K 0.66666666666667 0.33333333333333 0.75000000000000 39.098 65 K 0.66666666666667 0.33333333333333 0.25000000000000 39.098 66 K 0.33333333333333 0.66666666666667 0.75000000000000 39.098 67 K 0.66710146937587 0.00000000000000 0.59178169683782 39.098 68 K 0.66710146937587 0.66710146937587 0.09178169683782 39.098 69 K 0.00000000000000 0.33289853062413 0.09178169683782 39.098 70 K 0.00000000000000 0.66710146937587 0.59178169683782 39.098 71 K 0.66710146937587 0.66710146937587 0.40821830316218 39.098 72 K 0.33289853062413 0.00000000000000 0.09178169683782 39.098 *73 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 *74 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 75 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 76 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 77 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 78 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.795037915107436 0.000000000000000 0.000000000000000 b -4.897518957553718 8.482751665514803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.275618910000000 Atomic positions (fractional): *1 O 0.41165895072656 0.41165895072656 0.25000000000000 15.999 > 1 2 O 0.41165895072656 0.00000000000000 0.75000000000000 15.999 > 2 3 O 0.00000000000000 0.41165895072656 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.58834104927344 0.25000000000000 15.999 > 4 5 O 0.58834104927344 0.00000000000000 0.25000000000000 15.999 > 5 6 O 0.58834104927344 0.58834104927344 0.75000000000000 15.999 > 6 *7 O 0.82409073149010 0.00000000000000 0.14945230736397 15.999 > 7 8 O 0.17590926850990 0.17590926850990 0.14945230736397 15.999 > 8 9 O 0.00000000000000 0.82409073149010 0.14945230736397 15.999 > 9 10 O 0.00000000000000 0.17590926850990 0.64945230736397 15.999 > 10 11 O 0.17590926850990 0.17590926850990 0.35054769263603 15.999 > 11 12 O 0.17590926850990 0.00000000000000 0.64945230736397 15.999 > 12 13 O 0.82409073149010 0.82409073149010 0.64945230736397 15.999 > 13 14 O 0.17590926850990 0.00000000000000 0.85054769263603 15.999 > 14 15 O 0.00000000000000 0.17590926850990 0.85054769263603 15.999 > 15 16 O 0.00000000000000 0.82409073149010 0.35054769263603 15.999 > 16 17 O 0.82409073149010 0.00000000000000 0.35054769263603 15.999 > 17 18 O 0.82409073149010 0.82409073149010 0.85054769263603 15.999 > 18 *19 O 0.32214694065326 0.47925583997634 0.09021269997338 15.999 > 19 20 O 0.15710889932308 0.67785305934674 0.09021269997338 15.999 > 20 21 O 0.52074416002366 0.84289110067692 0.09021269997338 15.999 > 21 22 O 0.47925583997634 0.15710889932308 0.59021269997338 15.999 > 22 23 O 0.67785305934674 0.15710889932308 0.40978730002662 15.999 > 23 24 O 0.67785305934674 0.52074416002366 0.59021269997338 15.999 > 24 25 O 0.84289110067692 0.32214694065326 0.59021269997338 15.999 > 25 26 O 0.15710889932308 0.47925583997634 0.90978730002662 15.999 > 26 27 O 0.52074416002366 0.67785305934674 0.90978730002662 15.999 > 27 28 O 0.47925583997634 0.32214694065326 0.40978730002662 15.999 > 28 29 O 0.84289110067692 0.52074416002366 0.40978730002662 15.999 > 29 30 O 0.32214694065326 0.84289110067692 0.90978730002662 15.999 > 30 31 O 0.67785305934674 0.52074416002366 0.90978730002662 15.999 > 31 32 O 0.84289110067692 0.32214694065326 0.90978730002662 15.999 > 32 33 O 0.47925583997634 0.15710889932308 0.90978730002662 15.999 > 33 34 O 0.52074416002366 0.84289110067692 0.40978730002662 15.999 > 34 35 O 0.32214694065326 0.84289110067692 0.59021269997338 15.999 > 35 36 O 0.32214694065326 0.47925583997634 0.40978730002662 15.999 > 36 37 O 0.67785305934674 0.15710889932308 0.09021269997338 15.999 > 37 38 O 0.15710889932308 0.47925583997634 0.59021269997338 15.999 > 38 39 O 0.52074416002366 0.67785305934674 0.59021269997338 15.999 > 39 40 O 0.47925583997634 0.32214694065326 0.09021269997338 15.999 > 40 41 O 0.84289110067692 0.52074416002366 0.09021269997338 15.999 > 41 42 O 0.15710889932308 0.67785305934674 0.40978730002662 15.999 > 42 *43 Si 0.65778416782317 0.00000000000000 0.14234707314231 28.085 > 43 44 Si 0.34221583217683 0.34221583217683 0.14234707314231 28.085 > 44 45 Si 0.00000000000000 0.65778416782317 0.14234707314231 28.085 > 45 46 Si 0.00000000000000 0.34221583217683 0.64234707314231 28.085 > 46 47 Si 0.34221583217683 0.34221583217683 0.35765292685769 28.085 > 47 48 Si 0.34221583217683 0.00000000000000 0.64234707314231 28.085 > 48 49 Si 0.65778416782317 0.65778416782317 0.64234707314231 28.085 > 49 50 Si 0.34221583217683 0.00000000000000 0.85765292685769 28.085 > 50 51 Si 0.00000000000000 0.34221583217683 0.85765292685769 28.085 > 51 52 Si 0.00000000000000 0.65778416782317 0.35765292685769 28.085 > 52 53 Si 0.65778416782317 0.00000000000000 0.35765292685769 28.085 > 53 54 Si 0.65778416782317 0.65778416782317 0.85765292685769 28.085 > 54 *55 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 *56 K 0.33289853062413 0.33289853062413 0.90821830316218 39.098 > 56 57 K 0.33289853062413 0.00000000000000 0.40821830316218 39.098 > 57 58 K 0.00000000000000 0.33289853062413 0.40821830316218 39.098 > 58 59 K 0.00000000000000 0.66710146937587 0.90821830316218 39.098 > 59 60 K 0.66710146937587 0.00000000000000 0.90821830316218 39.098 > 60 61 K 0.33289853062413 0.33289853062413 0.59178169683782 39.098 > 61 62 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 62 *63 K 0.33333333333333 0.66666666666667 0.25000000000000 39.098 > 63 64 K 0.66666666666667 0.33333333333333 0.75000000000000 39.098 > 64 65 K 0.66666666666667 0.33333333333333 0.25000000000000 39.098 > 65 66 K 0.33333333333333 0.66666666666667 0.75000000000000 39.098 > 66 67 K 0.66710146937587 0.00000000000000 0.59178169683782 39.098 > 67 68 K 0.66710146937587 0.66710146937587 0.09178169683782 39.098 > 68 69 K 0.00000000000000 0.33289853062413 0.09178169683782 39.098 > 69 70 K 0.00000000000000 0.66710146937587 0.59178169683782 39.098 > 70 71 K 0.66710146937587 0.66710146937587 0.40821830316218 39.098 > 71 72 K 0.33289853062413 0.00000000000000 0.09178169683782 39.098 > 72 *73 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 > 73 *74 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 74 75 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 75 76 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 76 77 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 77 78 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 > 78 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.795037915107436 0.000000000000000 0.000000000000000 b -4.897518957553718 8.482751665514803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.275618910000000 Atomic positions (fractional): *1 O 0.41165895072656 0.41165895072656 0.25000000000000 15.999 > 1 2 O 0.41165895072656 0.00000000000000 0.75000000000000 15.999 > 2 3 O 0.00000000000000 0.41165895072656 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.58834104927344 0.25000000000000 15.999 > 4 5 O 0.58834104927344 0.00000000000000 0.25000000000000 15.999 > 5 6 O 0.58834104927344 0.58834104927344 0.75000000000000 15.999 > 6 *7 O 0.82409073149010 0.00000000000000 0.14945230736397 15.999 > 7 8 O 0.17590926850990 0.17590926850990 0.14945230736397 15.999 > 8 9 O 0.00000000000000 0.82409073149010 0.14945230736397 15.999 > 9 10 O 0.00000000000000 0.17590926850990 0.64945230736397 15.999 > 10 11 O 0.17590926850990 0.17590926850990 0.35054769263603 15.999 > 11 12 O 0.17590926850990 0.00000000000000 0.64945230736397 15.999 > 12 13 O 0.82409073149010 0.82409073149010 0.64945230736397 15.999 > 13 14 O 0.17590926850990 0.00000000000000 0.85054769263603 15.999 > 14 15 O 0.00000000000000 0.17590926850990 0.85054769263603 15.999 > 15 16 O 0.00000000000000 0.82409073149010 0.35054769263603 15.999 > 16 17 O 0.82409073149010 0.00000000000000 0.35054769263603 15.999 > 17 18 O 0.82409073149010 0.82409073149010 0.85054769263603 15.999 > 18 *19 O 0.32214694065326 0.47925583997634 0.09021269997338 15.999 > 19 20 O 0.15710889932308 0.67785305934674 0.09021269997338 15.999 > 20 21 O 0.52074416002366 0.84289110067692 0.09021269997338 15.999 > 21 22 O 0.47925583997634 0.15710889932308 0.59021269997338 15.999 > 22 23 O 0.67785305934674 0.15710889932308 0.40978730002662 15.999 > 23 24 O 0.67785305934674 0.52074416002366 0.59021269997338 15.999 > 24 25 O 0.84289110067692 0.32214694065326 0.59021269997338 15.999 > 25 26 O 0.15710889932308 0.47925583997634 0.90978730002662 15.999 > 26 27 O 0.52074416002366 0.67785305934674 0.90978730002662 15.999 > 27 28 O 0.47925583997634 0.32214694065326 0.40978730002662 15.999 > 28 29 O 0.84289110067692 0.52074416002366 0.40978730002662 15.999 > 29 30 O 0.32214694065326 0.84289110067692 0.90978730002662 15.999 > 30 31 O 0.67785305934674 0.52074416002366 0.90978730002662 15.999 > 31 32 O 0.84289110067692 0.32214694065326 0.90978730002662 15.999 > 32 33 O 0.47925583997634 0.15710889932308 0.90978730002662 15.999 > 33 34 O 0.52074416002366 0.84289110067692 0.40978730002662 15.999 > 34 35 O 0.32214694065326 0.84289110067692 0.59021269997338 15.999 > 35 36 O 0.32214694065326 0.47925583997634 0.40978730002662 15.999 > 36 37 O 0.67785305934674 0.15710889932308 0.09021269997338 15.999 > 37 38 O 0.15710889932308 0.47925583997634 0.59021269997338 15.999 > 38 39 O 0.52074416002366 0.67785305934674 0.59021269997338 15.999 > 39 40 O 0.47925583997634 0.32214694065326 0.09021269997338 15.999 > 40 41 O 0.84289110067692 0.52074416002366 0.09021269997338 15.999 > 41 42 O 0.15710889932308 0.67785305934674 0.40978730002662 15.999 > 42 *43 Si 0.65778416782317 0.00000000000000 0.14234707314231 28.085 > 43 44 Si 0.34221583217683 0.34221583217683 0.14234707314231 28.085 > 44 45 Si 0.00000000000000 0.65778416782317 0.14234707314231 28.085 > 45 46 Si 0.00000000000000 0.34221583217683 0.64234707314231 28.085 > 46 47 Si 0.34221583217683 0.34221583217683 0.35765292685769 28.085 > 47 48 Si 0.34221583217683 0.00000000000000 0.64234707314231 28.085 > 48 49 Si 0.65778416782317 0.65778416782317 0.64234707314231 28.085 > 49 50 Si 0.34221583217683 0.00000000000000 0.85765292685769 28.085 > 50 51 Si 0.00000000000000 0.34221583217683 0.85765292685769 28.085 > 51 52 Si 0.00000000000000 0.65778416782317 0.35765292685769 28.085 > 52 53 Si 0.65778416782317 0.00000000000000 0.35765292685769 28.085 > 53 54 Si 0.65778416782317 0.65778416782317 0.85765292685769 28.085 > 54 *55 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 *56 K 0.33289853062413 0.33289853062413 0.90821830316218 39.098 > 56 57 K 0.33289853062413 0.00000000000000 0.40821830316218 39.098 > 57 58 K 0.00000000000000 0.33289853062413 0.40821830316218 39.098 > 58 59 K 0.00000000000000 0.66710146937587 0.90821830316218 39.098 > 59 60 K 0.66710146937587 0.00000000000000 0.90821830316218 39.098 > 60 61 K 0.33289853062413 0.33289853062413 0.59178169683782 39.098 > 61 62 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 62 *63 K 0.33333333333333 0.66666666666667 0.25000000000000 39.098 > 63 64 K 0.66666666666667 0.33333333333333 0.75000000000000 39.098 > 64 65 K 0.66666666666667 0.33333333333333 0.25000000000000 39.098 > 65 66 K 0.33333333333333 0.66666666666667 0.75000000000000 39.098 > 66 67 K 0.66710146937587 0.00000000000000 0.59178169683782 39.098 > 67 68 K 0.66710146937587 0.66710146937587 0.09178169683782 39.098 > 68 69 K 0.00000000000000 0.33289853062413 0.09178169683782 39.098 > 69 70 K 0.00000000000000 0.66710146937587 0.59178169683782 39.098 > 70 71 K 0.66710146937587 0.66710146937587 0.40821830316218 39.098 > 71 72 K 0.33289853062413 0.00000000000000 0.09178169683782 39.098 > 72 *73 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 > 73 *74 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 74 75 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 75 76 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 76 77 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 77 78 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 > 78 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8096331 -0.0000000 0.0000000 0.0000000 2.8096331 0.0000000 0.0000000 0.0000000 2.8088467 -------------------------- Born effective charges -------------------------- 1 O -1.2419295 -0.0551375 -0.0000000 -0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 2 O -1.3374306 0.0000000 -0.0000000 -0.0000000 -1.2100959 0.0000000 0.0000000 -0.0000000 -2.9818678 3 O -1.2419295 0.0551375 -0.0000000 0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 4 O -1.2419295 0.0551375 -0.0000000 0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 5 O -1.3374306 0.0000000 -0.0000000 -0.0000000 -1.2100959 0.0000000 0.0000000 -0.0000000 -2.9818678 6 O -1.2419295 -0.0551375 -0.0000000 -0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 7 O -2.6657578 0.0000000 -0.4818308 -0.0000000 -1.2964119 0.0000000 -0.4688528 0.0000000 -1.6862850 8 O -1.6387484 -0.5929442 0.2409154 -0.5929442 -2.3234213 0.4172777 0.2344264 0.4060385 -1.6862850 9 O -1.6387484 0.5929442 0.2409154 0.5929442 -2.3234213 -0.4172777 0.2344264 -0.4060385 -1.6862850 10 O -1.6387484 0.5929442 -0.2409154 0.5929442 -2.3234213 0.4172777 -0.2344264 0.4060385 -1.6862850 11 O -1.6387484 -0.5929442 -0.2409154 -0.5929442 -2.3234213 -0.4172777 -0.2344264 -0.4060385 -1.6862850 12 O -2.6657578 0.0000000 0.4818308 -0.0000000 -1.2964119 0.0000000 0.4688528 -0.0000000 -1.6862850 13 O -1.6387484 -0.5929442 -0.2409154 -0.5929442 -2.3234213 -0.4172777 -0.2344264 -0.4060385 -1.6862850 14 O -2.6657578 0.0000000 -0.4818308 -0.0000000 -1.2964119 0.0000000 -0.4688528 0.0000000 -1.6862850 15 O -1.6387484 0.5929442 0.2409154 0.5929442 -2.3234213 -0.4172777 0.2344264 -0.4060385 -1.6862850 16 O -1.6387484 0.5929442 -0.2409154 0.5929442 -2.3234213 0.4172777 -0.2344264 0.4060385 -1.6862850 17 O -2.6657578 0.0000000 0.4818308 -0.0000000 -1.2964119 0.0000000 0.4688528 -0.0000000 -1.6862850 18 O -1.6387484 -0.5929442 0.2409154 -0.5929442 -2.3234213 0.4172777 0.2344264 0.4060385 -1.6862850 19 O -1.7993156 0.5972870 -0.3972247 0.5443778 -2.2997857 0.6934442 -0.3683082 0.7039546 -1.8210881 20 O -2.6690235 -0.0422517 0.7991526 -0.0951609 -1.4300777 -0.0027154 0.7937966 -0.0330130 -1.8210881 21 O -1.6803127 -0.4756715 -0.4019279 -0.5285807 -2.4187885 -0.6907288 -0.4254884 -0.6709416 -1.8210881 22 O -1.6803127 -0.4756715 0.4019279 -0.5285807 -2.4187885 0.6907288 0.4254884 0.6709416 -1.8210881 23 O -1.6803127 0.4756715 0.4019279 0.5285807 -2.4187885 -0.6907288 0.4254884 -0.6709416 -1.8210881 24 O -1.7993156 0.5972870 0.3972247 0.5443778 -2.2997857 -0.6934442 0.3683082 -0.7039546 -1.8210881 25 O -2.6690235 -0.0422517 -0.7991526 -0.0951609 -1.4300777 0.0027154 -0.7937966 0.0330130 -1.8210881 26 O -1.7993156 -0.5972870 -0.3972247 -0.5443778 -2.2997857 -0.6934442 -0.3683082 -0.7039546 -1.8210881 27 O -2.6690235 0.0422517 0.7991526 0.0951609 -1.4300777 0.0027154 0.7937966 0.0330130 -1.8210881 28 O -2.6690235 0.0422517 -0.7991526 0.0951609 -1.4300777 -0.0027154 -0.7937966 -0.0330130 -1.8210881 29 O -1.7993156 -0.5972870 0.3972247 -0.5443778 -2.2997857 0.6934442 0.3683082 0.7039546 -1.8210881 30 O -1.6803127 0.4756715 -0.4019279 0.5285807 -2.4187885 0.6907288 -0.4254884 0.6709416 -1.8210881 31 O -1.7993156 0.5972870 -0.3972247 0.5443778 -2.2997857 0.6934442 -0.3683082 0.7039546 -1.8210881 32 O -2.6690235 -0.0422517 0.7991526 -0.0951609 -1.4300777 -0.0027154 0.7937966 -0.0330130 -1.8210881 33 O -1.6803127 -0.4756715 -0.4019279 -0.5285807 -2.4187885 -0.6907288 -0.4254884 -0.6709416 -1.8210881 34 O -1.6803127 -0.4756715 0.4019279 -0.5285807 -2.4187885 0.6907288 0.4254884 0.6709416 -1.8210881 35 O -1.6803127 0.4756715 0.4019279 0.5285807 -2.4187885 -0.6907288 0.4254884 -0.6709416 -1.8210881 36 O -1.7993156 0.5972870 0.3972247 0.5443778 -2.2997857 -0.6934442 0.3683082 -0.7039546 -1.8210881 37 O -1.6803127 0.4756715 -0.4019279 0.5285807 -2.4187885 0.6907288 -0.4254884 0.6709416 -1.8210881 38 O -1.7993156 -0.5972870 0.3972247 -0.5443778 -2.2997857 0.6934442 0.3683082 0.7039546 -1.8210881 39 O -2.6690235 0.0422517 -0.7991526 0.0951609 -1.4300777 -0.0027154 -0.7937966 -0.0330130 -1.8210881 40 O -2.6690235 0.0422517 0.7991526 0.0951609 -1.4300777 0.0027154 0.7937966 0.0330130 -1.8210881 41 O -1.7993156 -0.5972870 -0.3972247 -0.5443778 -2.2997857 -0.6934442 -0.3683082 -0.7039546 -1.8210881 42 O -2.6690235 -0.0422517 -0.7991526 -0.0951609 -1.4300777 0.0027154 -0.7937966 0.0330130 -1.8210881 43 Si 2.9753457 0.0000000 0.3484602 -0.0000000 3.0236442 0.0000000 0.2706149 -0.0000000 3.1406815 44 Si 3.0115696 -0.0209139 -0.1742301 -0.0209139 2.9874203 -0.3017754 -0.1353075 -0.2343594 3.1406815 45 Si 3.0115696 0.0209139 -0.1742301 0.0209139 2.9874203 0.3017754 -0.1353075 0.2343594 3.1406815 46 Si 3.0115696 0.0209139 0.1742301 0.0209139 2.9874203 -0.3017754 0.1353075 -0.2343594 3.1406815 47 Si 3.0115696 -0.0209139 0.1742301 -0.0209139 2.9874203 0.3017754 0.1353075 0.2343594 3.1406815 48 Si 2.9753457 0.0000000 -0.3484602 -0.0000000 3.0236442 0.0000000 -0.2706149 0.0000000 3.1406815 49 Si 3.0115696 -0.0209139 0.1742301 -0.0209139 2.9874203 0.3017754 0.1353075 0.2343594 3.1406815 50 Si 2.9753457 0.0000000 0.3484602 -0.0000000 3.0236442 0.0000000 0.2706149 -0.0000000 3.1406815 51 Si 3.0115696 0.0209139 -0.1742301 0.0209139 2.9874203 0.3017754 -0.1353075 0.2343594 3.1406815 52 Si 3.0115696 0.0209139 0.1742301 0.0209139 2.9874203 -0.3017754 0.1353075 -0.2343594 3.1406815 53 Si 2.9753457 0.0000000 -0.3484602 -0.0000000 3.0236442 0.0000000 -0.2706149 0.0000000 3.1406815 54 Si 3.0115696 -0.0209139 -0.1742301 -0.0209139 2.9874203 -0.3017754 -0.1353075 -0.2343594 3.1406815 55 K 1.0882999 0.0000000 -0.0000000 -0.0000000 1.0882999 0.0000000 0.0000000 -0.0000000 1.4533338 56 K 1.2789383 -0.0436833 0.0432934 -0.0436833 1.2284972 0.0749864 0.0443204 0.0767651 1.0154608 57 K 1.2032767 0.0000000 0.0865868 -0.0000000 1.3041588 0.0000000 0.0886407 -0.0000000 1.0154608 58 K 1.2789383 0.0436833 -0.0432934 0.0436833 1.2284972 0.0749864 -0.0443204 0.0767651 1.0154608 59 K 1.2789383 0.0436833 0.0432934 0.0436833 1.2284972 -0.0749864 0.0443204 -0.0767651 1.0154608 60 K 1.2032767 0.0000000 -0.0865868 -0.0000000 1.3041588 0.0000000 -0.0886407 -0.0000000 1.0154608 61 K 1.2789383 -0.0436833 -0.0432934 -0.0436833 1.2284972 -0.0749864 -0.0443204 -0.0767651 1.0154608 62 K 1.0882999 0.0000000 -0.0000000 -0.0000000 1.0882999 0.0000000 0.0000000 -0.0000000 1.4533338 63 K 1.0956657 0.0128985 -0.0000000 -0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 64 K 1.0956657 0.0128985 -0.0000000 -0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 65 K 1.0956657 -0.0128985 -0.0000000 0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 66 K 1.0956657 -0.0128985 -0.0000000 0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 67 K 1.2032767 0.0000000 0.0865868 -0.0000000 1.3041588 0.0000000 0.0886407 -0.0000000 1.0154608 68 K 1.2789383 -0.0436833 0.0432934 -0.0436833 1.2284972 0.0749864 0.0443204 0.0767651 1.0154608 69 K 1.2789383 0.0436833 0.0432934 0.0436833 1.2284972 -0.0749864 0.0443204 -0.0767651 1.0154608 70 K 1.2789383 0.0436833 -0.0432934 0.0436833 1.2284972 0.0749864 -0.0443204 0.0767651 1.0154608 71 K 1.2789383 -0.0436833 -0.0432934 -0.0436833 1.2284972 -0.0749864 -0.0443204 -0.0767651 1.0154608 72 K 1.2032767 0.0000000 -0.0865868 -0.0000000 1.3041588 0.0000000 -0.0886407 -0.0000000 1.0154608 73 Tm 3.3827580 0.0000000 -0.0000000 -0.0000000 3.3827580 0.0000000 0.0000000 -0.0000000 4.0688873 74 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 75 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 76 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 77 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 78 Tm 3.3827580 0.0000000 -0.0000000 -0.0000000 3.3827580 0.0000000 0.0000000 -0.0000000 4.0688873 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 234/234 Permutation basis: 27261/27261 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 669 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 577 Use submatrix version of eigh solver. (1) Block: 577 / 577 (2) Block: 250 / 577 (2) 233 eigenvectors found. (2) Block: 500 / 577 (2) 235 eigenvectors found. (2) Block: 577 / 577 (2) 66 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 189 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1216), data: False |-- (189, 180), data: True |-- (486, 476), data: True |-- (577, 560), data: False |-- (577, 560), data: False |-- (577, 26), data: (577, 43) @ (43, 26) |-- (77, 66), data: True |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 78 / 78 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 0.293 Solver_block: 200 / 400 - Time: 0.302 Solver_block: 300 / 400 - Time: 0.302 Solver_block: 400 / 400 - Time: 0.302 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.226 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (xy) Permutation basis: 234/234 Permutation basis: 27261/27261 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 669 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 577 Use submatrix version of eigh solver. (1) Block: 577 / 577 (2) Block: 250 / 577 (2) 233 eigenvectors found. (2) Block: 500 / 577 (2) 235 eigenvectors found. (2) Block: 577 / 577 (2) 66 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 189 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1216), data: False |-- (189, 180), data: True |-- (486, 476), data: True |-- (577, 560), data: False |-- (577, 560), data: False |-- (577, 26), data: (577, 43) @ (43, 26) |-- (77, 66), data: True |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:11:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:11:06]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mcm (193) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.795037915107436 0.000000000000000 0.000000000000000 b -4.897518957553718 8.482751665514803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.275618910000000 Atomic positions (fractional): 1 O 0.41165895072656 0.41165895072656 0.25000000000000 15.999 2 O 0.41165895072656 0.00000000000000 0.75000000000000 15.999 3 O 0.00000000000000 0.41165895072656 0.75000000000000 15.999 4 O 0.00000000000000 0.58834104927344 0.25000000000000 15.999 5 O 0.58834104927344 0.00000000000000 0.25000000000000 15.999 6 O 0.58834104927344 0.58834104927344 0.75000000000000 15.999 7 O 0.82409073149010 0.00000000000000 0.14945230736397 15.999 8 O 0.17590926850990 0.17590926850990 0.14945230736397 15.999 9 O 0.00000000000000 0.82409073149010 0.14945230736397 15.999 10 O 0.00000000000000 0.17590926850990 0.64945230736397 15.999 11 O 0.17590926850990 0.17590926850990 0.35054769263603 15.999 12 O 0.17590926850990 0.00000000000000 0.64945230736397 15.999 13 O 0.82409073149010 0.82409073149010 0.64945230736397 15.999 14 O 0.17590926850990 0.00000000000000 0.85054769263603 15.999 15 O 0.00000000000000 0.17590926850990 0.85054769263603 15.999 16 O 0.00000000000000 0.82409073149010 0.35054769263603 15.999 17 O 0.82409073149010 0.00000000000000 0.35054769263603 15.999 18 O 0.82409073149010 0.82409073149010 0.85054769263603 15.999 19 O 0.32214694065326 0.47925583997634 0.09021269997338 15.999 20 O 0.15710889932308 0.67785305934674 0.09021269997338 15.999 21 O 0.52074416002366 0.84289110067692 0.09021269997338 15.999 22 O 0.47925583997634 0.15710889932308 0.59021269997338 15.999 23 O 0.67785305934674 0.15710889932308 0.40978730002662 15.999 24 O 0.67785305934674 0.52074416002366 0.59021269997338 15.999 25 O 0.84289110067692 0.32214694065326 0.59021269997338 15.999 26 O 0.15710889932308 0.47925583997634 0.90978730002662 15.999 27 O 0.52074416002366 0.67785305934674 0.90978730002662 15.999 28 O 0.47925583997634 0.32214694065326 0.40978730002662 15.999 29 O 0.84289110067692 0.52074416002366 0.40978730002662 15.999 30 O 0.32214694065326 0.84289110067692 0.90978730002662 15.999 31 O 0.67785305934674 0.52074416002366 0.90978730002662 15.999 32 O 0.84289110067692 0.32214694065326 0.90978730002662 15.999 33 O 0.47925583997634 0.15710889932308 0.90978730002662 15.999 34 O 0.52074416002366 0.84289110067692 0.40978730002662 15.999 35 O 0.32214694065326 0.84289110067692 0.59021269997338 15.999 36 O 0.32214694065326 0.47925583997634 0.40978730002662 15.999 37 O 0.67785305934674 0.15710889932308 0.09021269997338 15.999 38 O 0.15710889932308 0.47925583997634 0.59021269997338 15.999 39 O 0.52074416002366 0.67785305934674 0.59021269997338 15.999 40 O 0.47925583997634 0.32214694065326 0.09021269997338 15.999 41 O 0.84289110067692 0.52074416002366 0.09021269997338 15.999 42 O 0.15710889932308 0.67785305934674 0.40978730002662 15.999 43 Si 0.65778416782317 0.00000000000000 0.14234707314231 28.085 44 Si 0.34221583217683 0.34221583217683 0.14234707314231 28.085 45 Si 0.00000000000000 0.65778416782317 0.14234707314231 28.085 46 Si 0.00000000000000 0.34221583217683 0.64234707314231 28.085 47 Si 0.34221583217683 0.34221583217683 0.35765292685769 28.085 48 Si 0.34221583217683 0.00000000000000 0.64234707314231 28.085 49 Si 0.65778416782317 0.65778416782317 0.64234707314231 28.085 50 Si 0.34221583217683 0.00000000000000 0.85765292685769 28.085 51 Si 0.00000000000000 0.34221583217683 0.85765292685769 28.085 52 Si 0.00000000000000 0.65778416782317 0.35765292685769 28.085 53 Si 0.65778416782317 0.00000000000000 0.35765292685769 28.085 54 Si 0.65778416782317 0.65778416782317 0.85765292685769 28.085 55 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 56 K 0.33289853062413 0.33289853062413 0.90821830316218 39.098 57 K 0.33289853062413 0.00000000000000 0.40821830316218 39.098 58 K 0.00000000000000 0.33289853062413 0.40821830316218 39.098 59 K 0.00000000000000 0.66710146937587 0.90821830316218 39.098 60 K 0.66710146937587 0.00000000000000 0.90821830316218 39.098 61 K 0.33289853062413 0.33289853062413 0.59178169683782 39.098 62 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 63 K 0.33333333333333 0.66666666666667 0.25000000000000 39.098 64 K 0.66666666666667 0.33333333333333 0.75000000000000 39.098 65 K 0.66666666666667 0.33333333333333 0.25000000000000 39.098 66 K 0.33333333333333 0.66666666666667 0.75000000000000 39.098 67 K 0.66710146937587 0.00000000000000 0.59178169683782 39.098 68 K 0.66710146937587 0.66710146937587 0.09178169683782 39.098 69 K 0.00000000000000 0.33289853062413 0.09178169683782 39.098 70 K 0.00000000000000 0.66710146937587 0.59178169683782 39.098 71 K 0.66710146937587 0.66710146937587 0.40821830316218 39.098 72 K 0.33289853062413 0.00000000000000 0.09178169683782 39.098 73 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 74 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 75 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 76 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 77 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 78 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.795037915107436 0.000000000000000 0.000000000000000 b -4.897518957553718 8.482751665514803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.275618910000000 Atomic positions (fractional): 1 O 0.41165895072656 0.41165895072656 0.25000000000000 15.999 > 1 2 O 0.41165895072656 0.00000000000000 0.75000000000000 15.999 > 2 3 O 0.00000000000000 0.41165895072656 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.58834104927344 0.25000000000000 15.999 > 4 5 O 0.58834104927344 0.00000000000000 0.25000000000000 15.999 > 5 6 O 0.58834104927344 0.58834104927344 0.75000000000000 15.999 > 6 7 O 0.82409073149010 0.00000000000000 0.14945230736397 15.999 > 7 8 O 0.17590926850990 0.17590926850990 0.14945230736397 15.999 > 8 9 O 0.00000000000000 0.82409073149010 0.14945230736397 15.999 > 9 10 O 0.00000000000000 0.17590926850990 0.64945230736397 15.999 > 10 11 O 0.17590926850990 0.17590926850990 0.35054769263603 15.999 > 11 12 O 0.17590926850990 0.00000000000000 0.64945230736397 15.999 > 12 13 O 0.82409073149010 0.82409073149010 0.64945230736397 15.999 > 13 14 O 0.17590926850990 0.00000000000000 0.85054769263603 15.999 > 14 15 O 0.00000000000000 0.17590926850990 0.85054769263603 15.999 > 15 16 O 0.00000000000000 0.82409073149010 0.35054769263603 15.999 > 16 17 O 0.82409073149010 0.00000000000000 0.35054769263603 15.999 > 17 18 O 0.82409073149010 0.82409073149010 0.85054769263603 15.999 > 18 19 O 0.32214694065326 0.47925583997634 0.09021269997338 15.999 > 19 20 O 0.15710889932308 0.67785305934674 0.09021269997338 15.999 > 20 21 O 0.52074416002366 0.84289110067692 0.09021269997338 15.999 > 21 22 O 0.47925583997634 0.15710889932308 0.59021269997338 15.999 > 22 23 O 0.67785305934674 0.15710889932308 0.40978730002662 15.999 > 23 24 O 0.67785305934674 0.52074416002366 0.59021269997338 15.999 > 24 25 O 0.84289110067692 0.32214694065326 0.59021269997338 15.999 > 25 26 O 0.15710889932308 0.47925583997634 0.90978730002662 15.999 > 26 27 O 0.52074416002366 0.67785305934674 0.90978730002662 15.999 > 27 28 O 0.47925583997634 0.32214694065326 0.40978730002662 15.999 > 28 29 O 0.84289110067692 0.52074416002366 0.40978730002662 15.999 > 29 30 O 0.32214694065326 0.84289110067692 0.90978730002662 15.999 > 30 31 O 0.67785305934674 0.52074416002366 0.90978730002662 15.999 > 31 32 O 0.84289110067692 0.32214694065326 0.90978730002662 15.999 > 32 33 O 0.47925583997634 0.15710889932308 0.90978730002662 15.999 > 33 34 O 0.52074416002366 0.84289110067692 0.40978730002662 15.999 > 34 35 O 0.32214694065326 0.84289110067692 0.59021269997338 15.999 > 35 36 O 0.32214694065326 0.47925583997634 0.40978730002662 15.999 > 36 37 O 0.67785305934674 0.15710889932308 0.09021269997338 15.999 > 37 38 O 0.15710889932308 0.47925583997634 0.59021269997338 15.999 > 38 39 O 0.52074416002366 0.67785305934674 0.59021269997338 15.999 > 39 40 O 0.47925583997634 0.32214694065326 0.09021269997338 15.999 > 40 41 O 0.84289110067692 0.52074416002366 0.09021269997338 15.999 > 41 42 O 0.15710889932308 0.67785305934674 0.40978730002662 15.999 > 42 43 Si 0.65778416782317 0.00000000000000 0.14234707314231 28.085 > 43 44 Si 0.34221583217683 0.34221583217683 0.14234707314231 28.085 > 44 45 Si 0.00000000000000 0.65778416782317 0.14234707314231 28.085 > 45 46 Si 0.00000000000000 0.34221583217683 0.64234707314231 28.085 > 46 47 Si 0.34221583217683 0.34221583217683 0.35765292685769 28.085 > 47 48 Si 0.34221583217683 0.00000000000000 0.64234707314231 28.085 > 48 49 Si 0.65778416782317 0.65778416782317 0.64234707314231 28.085 > 49 50 Si 0.34221583217683 0.00000000000000 0.85765292685769 28.085 > 50 51 Si 0.00000000000000 0.34221583217683 0.85765292685769 28.085 > 51 52 Si 0.00000000000000 0.65778416782317 0.35765292685769 28.085 > 52 53 Si 0.65778416782317 0.00000000000000 0.35765292685769 28.085 > 53 54 Si 0.65778416782317 0.65778416782317 0.85765292685769 28.085 > 54 55 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 56 K 0.33289853062413 0.33289853062413 0.90821830316218 39.098 > 56 57 K 0.33289853062413 0.00000000000000 0.40821830316218 39.098 > 57 58 K 0.00000000000000 0.33289853062413 0.40821830316218 39.098 > 58 59 K 0.00000000000000 0.66710146937587 0.90821830316218 39.098 > 59 60 K 0.66710146937587 0.00000000000000 0.90821830316218 39.098 > 60 61 K 0.33289853062413 0.33289853062413 0.59178169683782 39.098 > 61 62 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 62 63 K 0.33333333333333 0.66666666666667 0.25000000000000 39.098 > 63 64 K 0.66666666666667 0.33333333333333 0.75000000000000 39.098 > 64 65 K 0.66666666666667 0.33333333333333 0.25000000000000 39.098 > 65 66 K 0.33333333333333 0.66666666666667 0.75000000000000 39.098 > 66 67 K 0.66710146937587 0.00000000000000 0.59178169683782 39.098 > 67 68 K 0.66710146937587 0.66710146937587 0.09178169683782 39.098 > 68 69 K 0.00000000000000 0.33289853062413 0.09178169683782 39.098 > 69 70 K 0.00000000000000 0.66710146937587 0.59178169683782 39.098 > 70 71 K 0.66710146937587 0.66710146937587 0.40821830316218 39.098 > 71 72 K 0.33289853062413 0.00000000000000 0.09178169683782 39.098 > 72 73 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 > 73 74 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 74 75 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 75 76 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 76 77 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 77 78 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 > 78 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8096331 -0.0000000 0.0000000 0.0000000 2.8096331 0.0000000 0.0000000 0.0000000 2.8088467 -------------------------- Born effective charges -------------------------- 1 O -1.2419295 -0.0551375 -0.0000000 -0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 2 O -1.3374306 0.0000000 -0.0000000 -0.0000000 -1.2100959 0.0000000 0.0000000 -0.0000000 -2.9818678 3 O -1.2419295 0.0551375 -0.0000000 0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 4 O -1.2419295 0.0551375 -0.0000000 0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 5 O -1.3374306 0.0000000 -0.0000000 -0.0000000 -1.2100959 0.0000000 0.0000000 -0.0000000 -2.9818678 6 O -1.2419295 -0.0551375 -0.0000000 -0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 7 O -2.6657578 0.0000000 -0.4818308 -0.0000000 -1.2964119 0.0000000 -0.4688528 0.0000000 -1.6862850 8 O -1.6387484 -0.5929442 0.2409154 -0.5929442 -2.3234213 0.4172777 0.2344264 0.4060385 -1.6862850 9 O -1.6387484 0.5929442 0.2409154 0.5929442 -2.3234213 -0.4172777 0.2344264 -0.4060385 -1.6862850 10 O -1.6387484 0.5929442 -0.2409154 0.5929442 -2.3234213 0.4172777 -0.2344264 0.4060385 -1.6862850 11 O -1.6387484 -0.5929442 -0.2409154 -0.5929442 -2.3234213 -0.4172777 -0.2344264 -0.4060385 -1.6862850 12 O -2.6657578 0.0000000 0.4818308 -0.0000000 -1.2964119 0.0000000 0.4688528 -0.0000000 -1.6862850 13 O -1.6387484 -0.5929442 -0.2409154 -0.5929442 -2.3234213 -0.4172777 -0.2344264 -0.4060385 -1.6862850 14 O -2.6657578 0.0000000 -0.4818308 -0.0000000 -1.2964119 0.0000000 -0.4688528 0.0000000 -1.6862850 15 O -1.6387484 0.5929442 0.2409154 0.5929442 -2.3234213 -0.4172777 0.2344264 -0.4060385 -1.6862850 16 O -1.6387484 0.5929442 -0.2409154 0.5929442 -2.3234213 0.4172777 -0.2344264 0.4060385 -1.6862850 17 O -2.6657578 0.0000000 0.4818308 -0.0000000 -1.2964119 0.0000000 0.4688528 -0.0000000 -1.6862850 18 O -1.6387484 -0.5929442 0.2409154 -0.5929442 -2.3234213 0.4172777 0.2344264 0.4060385 -1.6862850 19 O -1.7993156 0.5972870 -0.3972247 0.5443778 -2.2997857 0.6934442 -0.3683082 0.7039546 -1.8210881 20 O -2.6690235 -0.0422517 0.7991526 -0.0951609 -1.4300777 -0.0027154 0.7937966 -0.0330130 -1.8210881 21 O -1.6803127 -0.4756715 -0.4019279 -0.5285807 -2.4187885 -0.6907288 -0.4254884 -0.6709416 -1.8210881 22 O -1.6803127 -0.4756715 0.4019279 -0.5285807 -2.4187885 0.6907288 0.4254884 0.6709416 -1.8210881 23 O -1.6803127 0.4756715 0.4019279 0.5285807 -2.4187885 -0.6907288 0.4254884 -0.6709416 -1.8210881 24 O -1.7993156 0.5972870 0.3972247 0.5443778 -2.2997857 -0.6934442 0.3683082 -0.7039546 -1.8210881 25 O -2.6690235 -0.0422517 -0.7991526 -0.0951609 -1.4300777 0.0027154 -0.7937966 0.0330130 -1.8210881 26 O -1.7993156 -0.5972870 -0.3972247 -0.5443778 -2.2997857 -0.6934442 -0.3683082 -0.7039546 -1.8210881 27 O -2.6690235 0.0422517 0.7991526 0.0951609 -1.4300777 0.0027154 0.7937966 0.0330130 -1.8210881 28 O -2.6690235 0.0422517 -0.7991526 0.0951609 -1.4300777 -0.0027154 -0.7937966 -0.0330130 -1.8210881 29 O -1.7993156 -0.5972870 0.3972247 -0.5443778 -2.2997857 0.6934442 0.3683082 0.7039546 -1.8210881 30 O -1.6803127 0.4756715 -0.4019279 0.5285807 -2.4187885 0.6907288 -0.4254884 0.6709416 -1.8210881 31 O -1.7993156 0.5972870 -0.3972247 0.5443778 -2.2997857 0.6934442 -0.3683082 0.7039546 -1.8210881 32 O -2.6690235 -0.0422517 0.7991526 -0.0951609 -1.4300777 -0.0027154 0.7937966 -0.0330130 -1.8210881 33 O -1.6803127 -0.4756715 -0.4019279 -0.5285807 -2.4187885 -0.6907288 -0.4254884 -0.6709416 -1.8210881 34 O -1.6803127 -0.4756715 0.4019279 -0.5285807 -2.4187885 0.6907288 0.4254884 0.6709416 -1.8210881 35 O -1.6803127 0.4756715 0.4019279 0.5285807 -2.4187885 -0.6907288 0.4254884 -0.6709416 -1.8210881 36 O -1.7993156 0.5972870 0.3972247 0.5443778 -2.2997857 -0.6934442 0.3683082 -0.7039546 -1.8210881 37 O -1.6803127 0.4756715 -0.4019279 0.5285807 -2.4187885 0.6907288 -0.4254884 0.6709416 -1.8210881 38 O -1.7993156 -0.5972870 0.3972247 -0.5443778 -2.2997857 0.6934442 0.3683082 0.7039546 -1.8210881 39 O -2.6690235 0.0422517 -0.7991526 0.0951609 -1.4300777 -0.0027154 -0.7937966 -0.0330130 -1.8210881 40 O -2.6690235 0.0422517 0.7991526 0.0951609 -1.4300777 0.0027154 0.7937966 0.0330130 -1.8210881 41 O -1.7993156 -0.5972870 -0.3972247 -0.5443778 -2.2997857 -0.6934442 -0.3683082 -0.7039546 -1.8210881 42 O -2.6690235 -0.0422517 -0.7991526 -0.0951609 -1.4300777 0.0027154 -0.7937966 0.0330130 -1.8210881 43 Si 2.9753457 0.0000000 0.3484602 -0.0000000 3.0236442 0.0000000 0.2706149 -0.0000000 3.1406815 44 Si 3.0115696 -0.0209139 -0.1742301 -0.0209139 2.9874203 -0.3017754 -0.1353075 -0.2343594 3.1406815 45 Si 3.0115696 0.0209139 -0.1742301 0.0209139 2.9874203 0.3017754 -0.1353075 0.2343594 3.1406815 46 Si 3.0115696 0.0209139 0.1742301 0.0209139 2.9874203 -0.3017754 0.1353075 -0.2343594 3.1406815 47 Si 3.0115696 -0.0209139 0.1742301 -0.0209139 2.9874203 0.3017754 0.1353075 0.2343594 3.1406815 48 Si 2.9753457 0.0000000 -0.3484602 -0.0000000 3.0236442 0.0000000 -0.2706149 0.0000000 3.1406815 49 Si 3.0115696 -0.0209139 0.1742301 -0.0209139 2.9874203 0.3017754 0.1353075 0.2343594 3.1406815 50 Si 2.9753457 0.0000000 0.3484602 -0.0000000 3.0236442 0.0000000 0.2706149 -0.0000000 3.1406815 51 Si 3.0115696 0.0209139 -0.1742301 0.0209139 2.9874203 0.3017754 -0.1353075 0.2343594 3.1406815 52 Si 3.0115696 0.0209139 0.1742301 0.0209139 2.9874203 -0.3017754 0.1353075 -0.2343594 3.1406815 53 Si 2.9753457 0.0000000 -0.3484602 -0.0000000 3.0236442 0.0000000 -0.2706149 0.0000000 3.1406815 54 Si 3.0115696 -0.0209139 -0.1742301 -0.0209139 2.9874203 -0.3017754 -0.1353075 -0.2343594 3.1406815 55 K 1.0882999 0.0000000 -0.0000000 -0.0000000 1.0882999 0.0000000 0.0000000 -0.0000000 1.4533338 56 K 1.2789383 -0.0436833 0.0432934 -0.0436833 1.2284972 0.0749864 0.0443204 0.0767651 1.0154608 57 K 1.2032767 0.0000000 0.0865868 -0.0000000 1.3041588 0.0000000 0.0886407 -0.0000000 1.0154608 58 K 1.2789383 0.0436833 -0.0432934 0.0436833 1.2284972 0.0749864 -0.0443204 0.0767651 1.0154608 59 K 1.2789383 0.0436833 0.0432934 0.0436833 1.2284972 -0.0749864 0.0443204 -0.0767651 1.0154608 60 K 1.2032767 0.0000000 -0.0865868 -0.0000000 1.3041588 0.0000000 -0.0886407 -0.0000000 1.0154608 61 K 1.2789383 -0.0436833 -0.0432934 -0.0436833 1.2284972 -0.0749864 -0.0443204 -0.0767651 1.0154608 62 K 1.0882999 0.0000000 -0.0000000 -0.0000000 1.0882999 0.0000000 0.0000000 -0.0000000 1.4533338 63 K 1.0956657 0.0128985 -0.0000000 -0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 64 K 1.0956657 0.0128985 -0.0000000 -0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 65 K 1.0956657 -0.0128985 -0.0000000 0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 66 K 1.0956657 -0.0128985 -0.0000000 0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 67 K 1.2032767 0.0000000 0.0865868 -0.0000000 1.3041588 0.0000000 0.0886407 -0.0000000 1.0154608 68 K 1.2789383 -0.0436833 0.0432934 -0.0436833 1.2284972 0.0749864 0.0443204 0.0767651 1.0154608 69 K 1.2789383 0.0436833 0.0432934 0.0436833 1.2284972 -0.0749864 0.0443204 -0.0767651 1.0154608 70 K 1.2789383 0.0436833 -0.0432934 0.0436833 1.2284972 0.0749864 -0.0443204 0.0767651 1.0154608 71 K 1.2789383 -0.0436833 -0.0432934 -0.0436833 1.2284972 -0.0749864 -0.0443204 -0.0767651 1.0154608 72 K 1.2032767 0.0000000 -0.0865868 -0.0000000 1.3041588 0.0000000 -0.0886407 -0.0000000 1.0154608 73 Tm 3.3827580 0.0000000 -0.0000000 -0.0000000 3.3827580 0.0000000 0.0000000 -0.0000000 4.0688873 74 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 75 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 76 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 77 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 78 Tm 3.3827580 0.0000000 -0.0000000 -0.0000000 3.3827580 0.0000000 0.0000000 -0.0000000 4.0688873 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 56, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 74, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:11:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:11:27]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mcm (193) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.795037915107436 0.000000000000000 0.000000000000000 b -4.897518957553718 8.482751665514803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.275618910000000 Atomic positions (fractional): 1 O 0.41165895072656 0.41165895072656 0.25000000000000 15.999 2 O 0.41165895072656 0.00000000000000 0.75000000000000 15.999 3 O 0.00000000000000 0.41165895072656 0.75000000000000 15.999 4 O 0.00000000000000 0.58834104927344 0.25000000000000 15.999 5 O 0.58834104927344 0.00000000000000 0.25000000000000 15.999 6 O 0.58834104927344 0.58834104927344 0.75000000000000 15.999 7 O 0.82409073149010 0.00000000000000 0.14945230736397 15.999 8 O 0.17590926850990 0.17590926850990 0.14945230736397 15.999 9 O 0.00000000000000 0.82409073149010 0.14945230736397 15.999 10 O 0.00000000000000 0.17590926850990 0.64945230736397 15.999 11 O 0.17590926850990 0.17590926850990 0.35054769263603 15.999 12 O 0.17590926850990 0.00000000000000 0.64945230736397 15.999 13 O 0.82409073149010 0.82409073149010 0.64945230736397 15.999 14 O 0.17590926850990 0.00000000000000 0.85054769263603 15.999 15 O 0.00000000000000 0.17590926850990 0.85054769263603 15.999 16 O 0.00000000000000 0.82409073149010 0.35054769263603 15.999 17 O 0.82409073149010 0.00000000000000 0.35054769263603 15.999 18 O 0.82409073149010 0.82409073149010 0.85054769263603 15.999 19 O 0.32214694065326 0.47925583997634 0.09021269997338 15.999 20 O 0.15710889932308 0.67785305934674 0.09021269997338 15.999 21 O 0.52074416002366 0.84289110067692 0.09021269997338 15.999 22 O 0.47925583997634 0.15710889932308 0.59021269997338 15.999 23 O 0.67785305934674 0.15710889932308 0.40978730002662 15.999 24 O 0.67785305934674 0.52074416002366 0.59021269997338 15.999 25 O 0.84289110067692 0.32214694065326 0.59021269997338 15.999 26 O 0.15710889932308 0.47925583997634 0.90978730002662 15.999 27 O 0.52074416002366 0.67785305934674 0.90978730002662 15.999 28 O 0.47925583997634 0.32214694065326 0.40978730002662 15.999 29 O 0.84289110067692 0.52074416002366 0.40978730002662 15.999 30 O 0.32214694065326 0.84289110067692 0.90978730002662 15.999 31 O 0.67785305934674 0.52074416002366 0.90978730002662 15.999 32 O 0.84289110067692 0.32214694065326 0.90978730002662 15.999 33 O 0.47925583997634 0.15710889932308 0.90978730002662 15.999 34 O 0.52074416002366 0.84289110067692 0.40978730002662 15.999 35 O 0.32214694065326 0.84289110067692 0.59021269997338 15.999 36 O 0.32214694065326 0.47925583997634 0.40978730002662 15.999 37 O 0.67785305934674 0.15710889932308 0.09021269997338 15.999 38 O 0.15710889932308 0.47925583997634 0.59021269997338 15.999 39 O 0.52074416002366 0.67785305934674 0.59021269997338 15.999 40 O 0.47925583997634 0.32214694065326 0.09021269997338 15.999 41 O 0.84289110067692 0.52074416002366 0.09021269997338 15.999 42 O 0.15710889932308 0.67785305934674 0.40978730002662 15.999 43 Si 0.65778416782317 0.00000000000000 0.14234707314231 28.085 44 Si 0.34221583217683 0.34221583217683 0.14234707314231 28.085 45 Si 0.00000000000000 0.65778416782317 0.14234707314231 28.085 46 Si 0.00000000000000 0.34221583217683 0.64234707314231 28.085 47 Si 0.34221583217683 0.34221583217683 0.35765292685769 28.085 48 Si 0.34221583217683 0.00000000000000 0.64234707314231 28.085 49 Si 0.65778416782317 0.65778416782317 0.64234707314231 28.085 50 Si 0.34221583217683 0.00000000000000 0.85765292685769 28.085 51 Si 0.00000000000000 0.34221583217683 0.85765292685769 28.085 52 Si 0.00000000000000 0.65778416782317 0.35765292685769 28.085 53 Si 0.65778416782317 0.00000000000000 0.35765292685769 28.085 54 Si 0.65778416782317 0.65778416782317 0.85765292685769 28.085 55 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 56 K 0.33289853062413 0.33289853062413 0.90821830316218 39.098 57 K 0.33289853062413 0.00000000000000 0.40821830316218 39.098 58 K 0.00000000000000 0.33289853062413 0.40821830316218 39.098 59 K 0.00000000000000 0.66710146937587 0.90821830316218 39.098 60 K 0.66710146937587 0.00000000000000 0.90821830316218 39.098 61 K 0.33289853062413 0.33289853062413 0.59178169683782 39.098 62 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 63 K 0.33333333333333 0.66666666666667 0.25000000000000 39.098 64 K 0.66666666666667 0.33333333333333 0.75000000000000 39.098 65 K 0.66666666666667 0.33333333333333 0.25000000000000 39.098 66 K 0.33333333333333 0.66666666666667 0.75000000000000 39.098 67 K 0.66710146937587 0.00000000000000 0.59178169683782 39.098 68 K 0.66710146937587 0.66710146937587 0.09178169683782 39.098 69 K 0.00000000000000 0.33289853062413 0.09178169683782 39.098 70 K 0.00000000000000 0.66710146937587 0.59178169683782 39.098 71 K 0.66710146937587 0.66710146937587 0.40821830316218 39.098 72 K 0.33289853062413 0.00000000000000 0.09178169683782 39.098 73 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 74 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 75 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 76 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 77 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 78 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.795037915107436 0.000000000000000 0.000000000000000 b -4.897518957553718 8.482751665514803 0.000000000000000 c 0.000000000000000 0.000000000000000 14.275618910000000 Atomic positions (fractional): 1 O 0.41165895072656 0.41165895072656 0.25000000000000 15.999 > 1 2 O 0.41165895072656 0.00000000000000 0.75000000000000 15.999 > 2 3 O 0.00000000000000 0.41165895072656 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.58834104927344 0.25000000000000 15.999 > 4 5 O 0.58834104927344 0.00000000000000 0.25000000000000 15.999 > 5 6 O 0.58834104927344 0.58834104927344 0.75000000000000 15.999 > 6 7 O 0.82409073149010 0.00000000000000 0.14945230736397 15.999 > 7 8 O 0.17590926850990 0.17590926850990 0.14945230736397 15.999 > 8 9 O 0.00000000000000 0.82409073149010 0.14945230736397 15.999 > 9 10 O 0.00000000000000 0.17590926850990 0.64945230736397 15.999 > 10 11 O 0.17590926850990 0.17590926850990 0.35054769263603 15.999 > 11 12 O 0.17590926850990 0.00000000000000 0.64945230736397 15.999 > 12 13 O 0.82409073149010 0.82409073149010 0.64945230736397 15.999 > 13 14 O 0.17590926850990 0.00000000000000 0.85054769263603 15.999 > 14 15 O 0.00000000000000 0.17590926850990 0.85054769263603 15.999 > 15 16 O 0.00000000000000 0.82409073149010 0.35054769263603 15.999 > 16 17 O 0.82409073149010 0.00000000000000 0.35054769263603 15.999 > 17 18 O 0.82409073149010 0.82409073149010 0.85054769263603 15.999 > 18 19 O 0.32214694065326 0.47925583997634 0.09021269997338 15.999 > 19 20 O 0.15710889932308 0.67785305934674 0.09021269997338 15.999 > 20 21 O 0.52074416002366 0.84289110067692 0.09021269997338 15.999 > 21 22 O 0.47925583997634 0.15710889932308 0.59021269997338 15.999 > 22 23 O 0.67785305934674 0.15710889932308 0.40978730002662 15.999 > 23 24 O 0.67785305934674 0.52074416002366 0.59021269997338 15.999 > 24 25 O 0.84289110067692 0.32214694065326 0.59021269997338 15.999 > 25 26 O 0.15710889932308 0.47925583997634 0.90978730002662 15.999 > 26 27 O 0.52074416002366 0.67785305934674 0.90978730002662 15.999 > 27 28 O 0.47925583997634 0.32214694065326 0.40978730002662 15.999 > 28 29 O 0.84289110067692 0.52074416002366 0.40978730002662 15.999 > 29 30 O 0.32214694065326 0.84289110067692 0.90978730002662 15.999 > 30 31 O 0.67785305934674 0.52074416002366 0.90978730002662 15.999 > 31 32 O 0.84289110067692 0.32214694065326 0.90978730002662 15.999 > 32 33 O 0.47925583997634 0.15710889932308 0.90978730002662 15.999 > 33 34 O 0.52074416002366 0.84289110067692 0.40978730002662 15.999 > 34 35 O 0.32214694065326 0.84289110067692 0.59021269997338 15.999 > 35 36 O 0.32214694065326 0.47925583997634 0.40978730002662 15.999 > 36 37 O 0.67785305934674 0.15710889932308 0.09021269997338 15.999 > 37 38 O 0.15710889932308 0.47925583997634 0.59021269997338 15.999 > 38 39 O 0.52074416002366 0.67785305934674 0.59021269997338 15.999 > 39 40 O 0.47925583997634 0.32214694065326 0.09021269997338 15.999 > 40 41 O 0.84289110067692 0.52074416002366 0.09021269997338 15.999 > 41 42 O 0.15710889932308 0.67785305934674 0.40978730002662 15.999 > 42 43 Si 0.65778416782317 0.00000000000000 0.14234707314231 28.085 > 43 44 Si 0.34221583217683 0.34221583217683 0.14234707314231 28.085 > 44 45 Si 0.00000000000000 0.65778416782317 0.14234707314231 28.085 > 45 46 Si 0.00000000000000 0.34221583217683 0.64234707314231 28.085 > 46 47 Si 0.34221583217683 0.34221583217683 0.35765292685769 28.085 > 47 48 Si 0.34221583217683 0.00000000000000 0.64234707314231 28.085 > 48 49 Si 0.65778416782317 0.65778416782317 0.64234707314231 28.085 > 49 50 Si 0.34221583217683 0.00000000000000 0.85765292685769 28.085 > 50 51 Si 0.00000000000000 0.34221583217683 0.85765292685769 28.085 > 51 52 Si 0.00000000000000 0.65778416782317 0.35765292685769 28.085 > 52 53 Si 0.65778416782317 0.00000000000000 0.35765292685769 28.085 > 53 54 Si 0.65778416782317 0.65778416782317 0.85765292685769 28.085 > 54 55 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 56 K 0.33289853062413 0.33289853062413 0.90821830316218 39.098 > 56 57 K 0.33289853062413 0.00000000000000 0.40821830316218 39.098 > 57 58 K 0.00000000000000 0.33289853062413 0.40821830316218 39.098 > 58 59 K 0.00000000000000 0.66710146937587 0.90821830316218 39.098 > 59 60 K 0.66710146937587 0.00000000000000 0.90821830316218 39.098 > 60 61 K 0.33289853062413 0.33289853062413 0.59178169683782 39.098 > 61 62 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 62 63 K 0.33333333333333 0.66666666666667 0.25000000000000 39.098 > 63 64 K 0.66666666666667 0.33333333333333 0.75000000000000 39.098 > 64 65 K 0.66666666666667 0.33333333333333 0.25000000000000 39.098 > 65 66 K 0.33333333333333 0.66666666666667 0.75000000000000 39.098 > 66 67 K 0.66710146937587 0.00000000000000 0.59178169683782 39.098 > 67 68 K 0.66710146937587 0.66710146937587 0.09178169683782 39.098 > 68 69 K 0.00000000000000 0.33289853062413 0.09178169683782 39.098 > 69 70 K 0.00000000000000 0.66710146937587 0.59178169683782 39.098 > 70 71 K 0.66710146937587 0.66710146937587 0.40821830316218 39.098 > 71 72 K 0.33289853062413 0.00000000000000 0.09178169683782 39.098 > 72 73 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 > 73 74 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 74 75 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 75 76 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 76 77 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 77 78 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 > 78 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8096331 -0.0000000 0.0000000 0.0000000 2.8096331 0.0000000 0.0000000 0.0000000 2.8088467 -------------------------- Born effective charges -------------------------- 1 O -1.2419295 -0.0551375 -0.0000000 -0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 2 O -1.3374306 0.0000000 -0.0000000 -0.0000000 -1.2100959 0.0000000 0.0000000 -0.0000000 -2.9818678 3 O -1.2419295 0.0551375 -0.0000000 0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 4 O -1.2419295 0.0551375 -0.0000000 0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 5 O -1.3374306 0.0000000 -0.0000000 -0.0000000 -1.2100959 0.0000000 0.0000000 -0.0000000 -2.9818678 6 O -1.2419295 -0.0551375 -0.0000000 -0.0551375 -1.3055969 0.0000000 0.0000000 -0.0000000 -2.9818678 7 O -2.6657578 0.0000000 -0.4818308 -0.0000000 -1.2964119 0.0000000 -0.4688528 0.0000000 -1.6862850 8 O -1.6387484 -0.5929442 0.2409154 -0.5929442 -2.3234213 0.4172777 0.2344264 0.4060385 -1.6862850 9 O -1.6387484 0.5929442 0.2409154 0.5929442 -2.3234213 -0.4172777 0.2344264 -0.4060385 -1.6862850 10 O -1.6387484 0.5929442 -0.2409154 0.5929442 -2.3234213 0.4172777 -0.2344264 0.4060385 -1.6862850 11 O -1.6387484 -0.5929442 -0.2409154 -0.5929442 -2.3234213 -0.4172777 -0.2344264 -0.4060385 -1.6862850 12 O -2.6657578 0.0000000 0.4818308 -0.0000000 -1.2964119 0.0000000 0.4688528 -0.0000000 -1.6862850 13 O -1.6387484 -0.5929442 -0.2409154 -0.5929442 -2.3234213 -0.4172777 -0.2344264 -0.4060385 -1.6862850 14 O -2.6657578 0.0000000 -0.4818308 -0.0000000 -1.2964119 0.0000000 -0.4688528 0.0000000 -1.6862850 15 O -1.6387484 0.5929442 0.2409154 0.5929442 -2.3234213 -0.4172777 0.2344264 -0.4060385 -1.6862850 16 O -1.6387484 0.5929442 -0.2409154 0.5929442 -2.3234213 0.4172777 -0.2344264 0.4060385 -1.6862850 17 O -2.6657578 0.0000000 0.4818308 -0.0000000 -1.2964119 0.0000000 0.4688528 -0.0000000 -1.6862850 18 O -1.6387484 -0.5929442 0.2409154 -0.5929442 -2.3234213 0.4172777 0.2344264 0.4060385 -1.6862850 19 O -1.7993156 0.5972870 -0.3972247 0.5443778 -2.2997857 0.6934442 -0.3683082 0.7039546 -1.8210881 20 O -2.6690235 -0.0422517 0.7991526 -0.0951609 -1.4300777 -0.0027154 0.7937966 -0.0330130 -1.8210881 21 O -1.6803127 -0.4756715 -0.4019279 -0.5285807 -2.4187885 -0.6907288 -0.4254884 -0.6709416 -1.8210881 22 O -1.6803127 -0.4756715 0.4019279 -0.5285807 -2.4187885 0.6907288 0.4254884 0.6709416 -1.8210881 23 O -1.6803127 0.4756715 0.4019279 0.5285807 -2.4187885 -0.6907288 0.4254884 -0.6709416 -1.8210881 24 O -1.7993156 0.5972870 0.3972247 0.5443778 -2.2997857 -0.6934442 0.3683082 -0.7039546 -1.8210881 25 O -2.6690235 -0.0422517 -0.7991526 -0.0951609 -1.4300777 0.0027154 -0.7937966 0.0330130 -1.8210881 26 O -1.7993156 -0.5972870 -0.3972247 -0.5443778 -2.2997857 -0.6934442 -0.3683082 -0.7039546 -1.8210881 27 O -2.6690235 0.0422517 0.7991526 0.0951609 -1.4300777 0.0027154 0.7937966 0.0330130 -1.8210881 28 O -2.6690235 0.0422517 -0.7991526 0.0951609 -1.4300777 -0.0027154 -0.7937966 -0.0330130 -1.8210881 29 O -1.7993156 -0.5972870 0.3972247 -0.5443778 -2.2997857 0.6934442 0.3683082 0.7039546 -1.8210881 30 O -1.6803127 0.4756715 -0.4019279 0.5285807 -2.4187885 0.6907288 -0.4254884 0.6709416 -1.8210881 31 O -1.7993156 0.5972870 -0.3972247 0.5443778 -2.2997857 0.6934442 -0.3683082 0.7039546 -1.8210881 32 O -2.6690235 -0.0422517 0.7991526 -0.0951609 -1.4300777 -0.0027154 0.7937966 -0.0330130 -1.8210881 33 O -1.6803127 -0.4756715 -0.4019279 -0.5285807 -2.4187885 -0.6907288 -0.4254884 -0.6709416 -1.8210881 34 O -1.6803127 -0.4756715 0.4019279 -0.5285807 -2.4187885 0.6907288 0.4254884 0.6709416 -1.8210881 35 O -1.6803127 0.4756715 0.4019279 0.5285807 -2.4187885 -0.6907288 0.4254884 -0.6709416 -1.8210881 36 O -1.7993156 0.5972870 0.3972247 0.5443778 -2.2997857 -0.6934442 0.3683082 -0.7039546 -1.8210881 37 O -1.6803127 0.4756715 -0.4019279 0.5285807 -2.4187885 0.6907288 -0.4254884 0.6709416 -1.8210881 38 O -1.7993156 -0.5972870 0.3972247 -0.5443778 -2.2997857 0.6934442 0.3683082 0.7039546 -1.8210881 39 O -2.6690235 0.0422517 -0.7991526 0.0951609 -1.4300777 -0.0027154 -0.7937966 -0.0330130 -1.8210881 40 O -2.6690235 0.0422517 0.7991526 0.0951609 -1.4300777 0.0027154 0.7937966 0.0330130 -1.8210881 41 O -1.7993156 -0.5972870 -0.3972247 -0.5443778 -2.2997857 -0.6934442 -0.3683082 -0.7039546 -1.8210881 42 O -2.6690235 -0.0422517 -0.7991526 -0.0951609 -1.4300777 0.0027154 -0.7937966 0.0330130 -1.8210881 43 Si 2.9753457 0.0000000 0.3484602 -0.0000000 3.0236442 0.0000000 0.2706149 -0.0000000 3.1406815 44 Si 3.0115696 -0.0209139 -0.1742301 -0.0209139 2.9874203 -0.3017754 -0.1353075 -0.2343594 3.1406815 45 Si 3.0115696 0.0209139 -0.1742301 0.0209139 2.9874203 0.3017754 -0.1353075 0.2343594 3.1406815 46 Si 3.0115696 0.0209139 0.1742301 0.0209139 2.9874203 -0.3017754 0.1353075 -0.2343594 3.1406815 47 Si 3.0115696 -0.0209139 0.1742301 -0.0209139 2.9874203 0.3017754 0.1353075 0.2343594 3.1406815 48 Si 2.9753457 0.0000000 -0.3484602 -0.0000000 3.0236442 0.0000000 -0.2706149 0.0000000 3.1406815 49 Si 3.0115696 -0.0209139 0.1742301 -0.0209139 2.9874203 0.3017754 0.1353075 0.2343594 3.1406815 50 Si 2.9753457 0.0000000 0.3484602 -0.0000000 3.0236442 0.0000000 0.2706149 -0.0000000 3.1406815 51 Si 3.0115696 0.0209139 -0.1742301 0.0209139 2.9874203 0.3017754 -0.1353075 0.2343594 3.1406815 52 Si 3.0115696 0.0209139 0.1742301 0.0209139 2.9874203 -0.3017754 0.1353075 -0.2343594 3.1406815 53 Si 2.9753457 0.0000000 -0.3484602 -0.0000000 3.0236442 0.0000000 -0.2706149 0.0000000 3.1406815 54 Si 3.0115696 -0.0209139 -0.1742301 -0.0209139 2.9874203 -0.3017754 -0.1353075 -0.2343594 3.1406815 55 K 1.0882999 0.0000000 -0.0000000 -0.0000000 1.0882999 0.0000000 0.0000000 -0.0000000 1.4533338 56 K 1.2789383 -0.0436833 0.0432934 -0.0436833 1.2284972 0.0749864 0.0443204 0.0767651 1.0154608 57 K 1.2032767 0.0000000 0.0865868 -0.0000000 1.3041588 0.0000000 0.0886407 -0.0000000 1.0154608 58 K 1.2789383 0.0436833 -0.0432934 0.0436833 1.2284972 0.0749864 -0.0443204 0.0767651 1.0154608 59 K 1.2789383 0.0436833 0.0432934 0.0436833 1.2284972 -0.0749864 0.0443204 -0.0767651 1.0154608 60 K 1.2032767 0.0000000 -0.0865868 -0.0000000 1.3041588 0.0000000 -0.0886407 -0.0000000 1.0154608 61 K 1.2789383 -0.0436833 -0.0432934 -0.0436833 1.2284972 -0.0749864 -0.0443204 -0.0767651 1.0154608 62 K 1.0882999 0.0000000 -0.0000000 -0.0000000 1.0882999 0.0000000 0.0000000 -0.0000000 1.4533338 63 K 1.0956657 0.0128985 -0.0000000 -0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 64 K 1.0956657 0.0128985 -0.0000000 -0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 65 K 1.0956657 -0.0128985 -0.0000000 0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 66 K 1.0956657 -0.0128985 -0.0000000 0.0128985 1.0956657 0.0000000 0.0000000 -0.0000000 1.3413975 67 K 1.2032767 0.0000000 0.0865868 -0.0000000 1.3041588 0.0000000 0.0886407 -0.0000000 1.0154608 68 K 1.2789383 -0.0436833 0.0432934 -0.0436833 1.2284972 0.0749864 0.0443204 0.0767651 1.0154608 69 K 1.2789383 0.0436833 0.0432934 0.0436833 1.2284972 -0.0749864 0.0443204 -0.0767651 1.0154608 70 K 1.2789383 0.0436833 -0.0432934 0.0436833 1.2284972 0.0749864 -0.0443204 0.0767651 1.0154608 71 K 1.2789383 -0.0436833 -0.0432934 -0.0436833 1.2284972 -0.0749864 -0.0443204 -0.0767651 1.0154608 72 K 1.2032767 0.0000000 -0.0865868 -0.0000000 1.3041588 0.0000000 -0.0886407 -0.0000000 1.0154608 73 Tm 3.3827580 0.0000000 -0.0000000 -0.0000000 3.3827580 0.0000000 0.0000000 -0.0000000 4.0688873 74 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 75 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 76 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 77 Tm 4.0603702 0.0000000 -0.0000000 -0.0000000 4.0603702 0.0000000 0.0000000 -0.0000000 3.8872502 78 Tm 3.3827580 0.0000000 -0.0000000 -0.0000000 3.3827580 0.0000000 0.0000000 -0.0000000 4.0688873 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.39, Number of G-points: 299, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/21) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 7.564 ( 0.000 0.000 0.000) 0.000 7.564 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.907 ( 0.000 0.000 0.000) 0.000 8.907 ( 0.000 0.000 0.000) 0.000 8.959 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.404 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 0.000 0.000) 0.000 10.632 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 12.557 ( 0.000 0.000 0.000) 0.000 12.557 ( 0.000 0.000 0.000) 0.000 12.566 ( 0.000 0.000 0.000) 0.000 12.566 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 12.842 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 14.081 ( 0.000 0.000 0.000) 0.000 14.097 ( 0.000 0.000 0.000) 0.000 14.097 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.393 ( 0.000 0.000 0.000) 0.000 14.393 ( 0.000 0.000 0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.749 ( 0.000 0.000 0.000) 0.000 14.749 ( 0.000 0.000 0.000) 0.000 15.051 ( 0.000 0.000 0.000) 0.000 15.051 ( 0.000 0.000 0.000) 0.000 15.103 ( 0.000 0.000 0.000) 0.000 15.103 ( 0.000 0.000 0.000) 0.000 15.171 ( 0.000 0.000 0.000) 0.000 15.287 ( 0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.391 ( 0.000 0.000 0.000) 0.000 15.553 ( 0.000 0.000 0.000) 0.000 15.553 ( 0.000 0.000 0.000) 0.000 15.557 ( 0.000 0.000 0.000) 0.000 19.803 ( 0.000 0.000 0.000) 0.000 19.803 ( 0.000 0.000 0.000) 0.000 19.951 ( 0.000 0.000 0.000) 0.000 19.968 ( 0.000 0.000 0.000) 0.000 19.968 ( 0.000 0.000 0.000) 0.000 20.109 ( 0.000 0.000 0.000) 0.000 25.351 ( 0.000 0.000 0.000) 0.000 25.351 ( 0.000 0.000 0.000) 0.000 25.491 ( 0.000 0.000 0.000) 0.000 25.491 ( 0.000 0.000 0.000) 0.000 25.501 ( 0.000 0.000 0.000) 0.000 26.369 ( 0.000 0.000 0.000) 0.000 27.159 ( 0.000 0.000 0.000) 0.000 27.159 ( 0.000 0.000 0.000) 0.000 27.192 ( 0.000 0.000 0.000) 0.000 27.192 ( 0.000 0.000 0.000) 0.000 27.373 ( 0.000 0.000 0.000) 0.000 27.373 ( 0.000 0.000 0.000) 0.000 27.402 ( 0.000 0.000 0.000) 0.000 27.402 ( 0.000 0.000 0.000) 0.000 27.427 ( 0.000 0.000 0.000) 0.000 27.427 ( 0.000 0.000 0.000) 0.000 27.477 ( 0.000 0.000 0.000) 0.000 27.477 ( 0.000 0.000 0.000) 0.000 27.581 ( 0.000 0.000 0.000) 0.000 27.652 ( 0.000 0.000 0.000) 0.000 27.652 ( 0.000 0.000 0.000) 0.000 27.664 ( 0.000 0.000 0.000) 0.000 27.739 ( 0.000 0.000 0.000) 0.000 27.739 ( 0.000 0.000 0.000) 0.000 27.758 ( 0.000 0.000 0.000) 0.000 27.869 ( 0.000 0.000 0.000) 0.000 27.869 ( 0.000 0.000 0.000) 0.000 27.894 ( 0.000 0.000 0.000) 0.000 28.017 ( 0.000 0.000 0.000) 0.000 28.017 ( 0.000 0.000 0.000) 0.000 28.096 ( 0.000 0.000 0.000) 0.000 28.096 ( 0.000 0.000 0.000) 0.000 28.132 ( 0.000 0.000 0.000) 0.000 28.132 ( 0.000 0.000 0.000) 0.000 28.231 ( 0.000 0.000 0.000) 0.000 28.290 ( 0.000 0.000 0.000) 0.000 28.667 ( 0.000 0.000 0.000) 0.000 29.974 ( 0.000 0.000 0.000) 0.000 30.487 ( 0.000 0.000 0.000) 0.000 30.753 ( 0.000 0.000 0.000) 0.000 31.065 ( 0.000 0.000 0.000) 0.000 31.069 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/21) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 26.956 15.563 0.000) 31.126 0.807 ( 34.933 20.168 0.000) 40.337 1.207 ( 51.754 29.880 0.000) 59.760 1.924 ( 6.385 3.687 0.000) 7.373 2.013 ( 11.592 6.693 0.000) 13.385 2.056 ( 13.132 7.582 0.000) 15.164 2.062 ( 7.591 4.383 0.000) 8.765 2.137 ( 13.029 7.522 0.000) 15.044 2.286 ( 2.605 1.504 0.000) 3.008 2.289 ( 3.843 2.219 0.000) 4.437 2.368 ( 3.647 2.106 0.000) 4.212 2.491 ( 1.901 1.097 0.000) 2.195 2.509 ( 4.676 2.700 0.000) 5.400 2.515 ( 0.365 0.210 0.000) 0.421 2.543 ( 1.127 0.650 0.000) 1.301 2.715 ( -3.187 -1.840 0.000) 3.680 2.749 ( 0.259 0.149 0.000) 0.299 2.774 ( -0.078 -0.045 0.000) 0.090 2.782 ( -0.153 -0.088 0.000) 0.176 2.845 ( -1.617 -0.933 0.000) 1.867 2.918 ( 0.555 0.320 0.000) 0.641 2.953 ( 3.290 1.899 0.000) 3.799 2.971 ( -2.131 -1.230 0.000) 2.461 2.985 ( -3.865 -2.232 0.000) 4.463 3.034 ( -8.409 -4.855 0.000) 9.710 3.079 ( -6.776 -3.912 0.000) 7.824 3.093 ( -6.193 -3.576 0.000) 7.151 3.175 ( -3.208 -1.852 0.000) 3.704 3.205 ( -7.260 -4.192 0.000) 8.383 3.207 ( -3.401 -1.964 0.000) 3.927 3.235 ( 0.815 0.470 0.000) 0.941 3.321 ( -1.233 -0.712 0.000) 1.424 3.359 ( 3.332 1.924 0.000) 3.847 3.412 ( 4.560 2.633 0.000) 5.265 3.429 ( 1.620 0.935 0.000) 1.871 3.432 ( 0.502 0.290 0.000) 0.580 3.481 ( -2.815 -1.625 0.000) 3.250 3.504 ( 0.034 0.020 0.000) 0.039 3.506 ( 3.135 1.810 0.000) 3.620 3.507 ( 1.067 0.616 0.000) 1.232 3.519 ( 1.736 1.003 0.000) 2.005 3.545 ( -0.107 -0.062 0.000) 0.123 3.604 ( -0.950 -0.548 0.000) 1.097 3.627 ( -1.931 -1.115 0.000) 2.230 3.682 ( 0.403 0.233 0.000) 0.466 3.692 ( 0.949 0.548 0.000) 1.095 3.733 ( 0.920 0.531 0.000) 1.062 3.741 ( 0.831 0.480 0.000) 0.960 3.779 ( 5.400 3.118 0.000) 6.236 3.802 ( 4.146 2.393 0.000) 4.787 3.906 ( -5.381 -3.107 0.000) 6.214 3.933 ( 1.230 0.710 0.000) 1.421 3.979 ( 0.913 0.527 0.000) 1.054 4.009 ( -3.523 -2.034 0.000) 4.068 4.063 ( 1.407 0.812 0.000) 1.625 4.078 ( 8.693 5.019 0.000) 10.038 4.130 ( 2.447 1.413 0.000) 2.825 4.167 ( 5.341 3.084 0.000) 6.167 4.213 ( -7.226 -4.172 0.000) 8.344 4.315 ( -0.316 -0.182 0.000) 0.364 4.333 ( -3.245 -1.873 0.000) 3.747 4.366 ( -1.244 -0.718 0.000) 1.436 4.368 ( -2.597 -1.499 0.000) 2.999 4.370 ( -0.520 -0.300 0.000) 0.600 4.422 ( -0.921 -0.532 0.000) 1.064 4.425 ( -1.398 -0.807 0.000) 1.614 4.458 ( 4.286 2.475 0.000) 4.949 4.488 ( -2.006 -1.158 0.000) 2.316 4.576 ( 3.956 2.284 0.000) 4.568 4.624 ( 1.022 0.590 0.000) 1.180 4.702 ( -7.058 -4.075 0.000) 8.150 4.714 ( -2.513 -1.451 0.000) 2.902 4.729 ( -5.451 -3.147 0.000) 6.295 4.879 ( -13.921 -8.037 0.000) 16.075 4.913 ( 2.327 1.344 0.000) 2.687 4.946 ( -7.188 -4.150 0.000) 8.300 5.041 ( -9.274 -5.355 0.000) 10.709 5.062 ( -0.735 -0.424 0.000) 0.849 5.070 ( -0.153 -0.088 0.000) 0.177 5.096 ( -6.434 -3.715 0.000) 7.430 5.181 ( 5.961 3.442 0.000) 6.884 5.191 ( 6.576 3.797 0.000) 7.593 5.215 ( 0.315 0.182 0.000) 0.363 5.291 ( -13.856 -8.000 0.000) 16.000 5.365 ( -9.369 -5.409 0.000) 10.819 5.373 ( 0.607 0.351 0.000) 0.701 5.394 ( -5.867 -3.387 0.000) 6.775 5.438 ( -8.052 -4.649 0.000) 9.298 5.508 ( 6.506 3.756 0.000) 7.513 5.595 ( 3.790 2.188 0.000) 4.376 5.615 ( -10.031 -5.791 0.000) 11.583 5.679 ( -3.434 -1.983 0.000) 3.966 5.712 ( -3.691 -2.131 0.000) 4.262 5.717 ( -6.629 -3.827 0.000) 7.654 5.804 ( 1.490 0.861 0.000) 1.721 5.896 ( 3.140 1.813 0.000) 3.626 5.920 ( -3.851 -2.223 0.000) 4.447 6.011 ( 1.617 0.934 0.000) 1.868 6.017 ( 1.661 0.959 0.000) 1.918 6.063 ( -1.060 -0.612 0.000) 1.224 6.105 ( 2.454 1.417 0.000) 2.833 6.161 ( 1.997 1.153 0.000) 2.306 6.170 ( 1.364 0.787 0.000) 1.575 6.215 ( 1.956 1.129 0.000) 2.259 6.223 ( 1.637 0.945 0.000) 1.890 6.274 ( 5.003 2.889 0.000) 5.777 6.275 ( 2.229 1.287 0.000) 2.574 6.399 ( 3.062 1.768 0.000) 3.535 6.446 ( 6.830 3.943 0.000) 7.886 6.565 ( 1.400 0.808 0.000) 1.617 6.567 ( 1.408 0.813 0.000) 1.625 6.572 ( 0.557 0.322 0.000) 0.643 6.759 ( -4.070 -2.350 0.000) 4.700 6.797 ( -2.094 -1.209 0.000) 2.418 6.798 ( 1.705 0.984 0.000) 1.969 6.798 ( 2.855 1.648 0.000) 3.297 6.844 ( 0.812 0.469 0.000) 0.937 6.948 ( 5.884 3.397 0.000) 6.794 7.142 ( -2.066 -1.193 0.000) 2.386 7.477 ( -5.279 -3.048 0.000) 6.096 7.587 ( 2.128 1.228 0.000) 2.457 7.667 ( -8.164 -4.713 0.000) 9.427 7.859 ( -3.364 -1.942 0.000) 3.884 8.153 ( 4.392 2.536 0.000) 5.072 8.243 ( -6.253 -3.610 0.000) 7.220 8.456 ( 5.033 2.906 0.000) 5.812 8.459 ( -9.570 -5.525 0.000) 11.050 8.564 ( -2.603 -1.503 0.000) 3.006 8.633 ( -4.253 -2.455 0.000) 4.911 8.669 ( -0.373 -0.216 0.000) 0.431 8.932 ( 3.065 1.769 0.000) 3.539 8.964 ( 5.771 3.332 0.000) 6.664 8.974 ( 1.198 0.692 0.000) 1.383 9.024 ( 2.589 1.495 0.000) 2.990 9.051 ( 5.259 3.037 0.000) 6.073 9.308 ( 0.275 0.159 0.000) 0.317 9.325 ( -2.997 -1.730 0.000) 3.460 9.382 ( -0.094 -0.054 0.000) 0.109 9.384 ( -3.648 -2.106 0.000) 4.213 9.390 ( 2.563 1.480 0.000) 2.959 9.400 ( 2.582 1.490 0.000) 2.981 9.445 ( 4.269 2.465 0.000) 4.929 10.153 ( -6.097 -3.520 0.000) 7.040 10.180 ( -10.996 -6.348 0.000) 12.697 10.440 ( -5.273 -3.044 0.000) 6.088 10.505 ( -4.480 -2.587 0.000) 5.173 10.534 ( 1.796 1.037 0.000) 2.074 10.624 ( 6.231 3.597 0.000) 7.195 10.676 ( 1.153 0.665 0.000) 1.331 10.769 ( 6.896 3.981 0.000) 7.963 12.475 ( -5.692 -3.287 0.000) 6.573 12.554 ( -0.250 -0.144 0.000) 0.289 12.577 ( 0.353 0.204 0.000) 0.407 12.586 ( -1.453 -0.839 0.000) 1.678 12.701 ( -0.878 -0.507 0.000) 1.013 12.725 ( 1.085 0.627 0.000) 1.253 12.727 ( -1.661 -0.959 0.000) 1.918 12.876 ( 2.453 1.416 0.000) 2.833 13.093 ( 0.029 0.017 0.000) 0.034 13.378 ( -0.190 -0.110 0.000) 0.220 13.387 ( 0.536 0.309 0.000) 0.618 13.406 ( 2.126 1.228 0.000) 2.455 14.042 ( -1.710 -0.987 0.000) 1.975 14.086 ( 0.561 0.324 0.000) 0.647 14.109 ( -0.906 -0.523 0.000) 1.046 14.153 ( 1.308 0.755 0.000) 1.510 14.154 ( 1.168 0.674 0.000) 1.348 14.194 ( 4.153 2.398 0.000) 4.796 14.281 ( -4.014 -2.318 0.000) 4.635 14.384 ( -0.440 -0.254 0.000) 0.509 14.497 ( 1.816 1.048 0.000) 2.097 14.724 ( -1.846 -1.066 0.000) 2.132 14.744 ( -0.468 -0.270 0.000) 0.541 14.998 ( -3.977 -2.296 0.000) 4.592 15.058 ( 0.310 0.179 0.000) 0.358 15.081 ( -0.788 -0.455 0.000) 0.910 15.134 ( -1.282 -0.740 0.000) 1.480 15.252 ( -0.005 -0.003 0.000) 0.006 15.300 ( 0.966 0.558 0.000) 1.116 15.309 ( 2.526 1.459 0.000) 2.917 15.316 ( 1.319 0.761 0.000) 1.523 15.388 ( 4.410 2.546 0.000) 5.092 15.421 ( 2.616 1.510 0.000) 3.020 15.446 ( -4.404 -2.543 0.000) 5.086 15.580 ( 2.242 1.294 0.000) 2.589 15.642 ( 2.832 1.635 0.000) 3.270 19.724 ( -5.259 -3.036 0.000) 6.073 19.826 ( 1.874 1.082 0.000) 2.164 19.964 ( 0.100 0.058 0.000) 0.116 19.990 ( 1.702 0.983 0.000) 1.966 20.021 ( -1.805 -1.042 0.000) 2.084 20.123 ( 0.640 0.369 0.000) 0.739 25.302 ( -3.143 -1.814 0.000) 3.629 25.363 ( 0.190 0.110 0.000) 0.219 25.495 ( -0.037 -0.022 0.000) 0.043 25.502 ( 1.635 0.944 0.000) 1.888 25.540 ( 2.751 1.589 0.000) 3.177 26.194 ( -11.700 -6.755 0.000) 13.510 27.153 ( -0.349 -0.202 0.000) 0.403 27.199 ( 1.643 0.949 0.000) 1.898 27.238 ( 3.472 2.005 0.000) 4.010 27.277 ( 2.839 1.639 0.000) 3.279 27.313 ( -3.647 -2.106 0.000) 4.212 27.346 ( -0.840 -0.485 0.000) 0.970 27.347 ( -2.394 -1.382 0.000) 2.764 27.416 ( 1.168 0.674 0.000) 1.348 27.421 ( -4.188 -2.418 0.000) 4.836 27.499 ( 2.562 1.479 0.000) 2.958 27.578 ( -0.482 -0.278 0.000) 0.556 27.619 ( 10.479 6.050 0.000) 12.101 27.627 ( 0.415 0.240 0.000) 0.479 27.669 ( -4.919 -2.840 0.000) 5.680 27.739 ( 4.091 2.362 0.000) 4.724 27.762 ( -0.288 -0.166 0.000) 0.332 27.763 ( 10.046 5.800 0.000) 11.600 27.765 ( 0.588 0.339 0.000) 0.678 27.863 ( -0.791 -0.457 0.000) 0.913 27.886 ( 2.632 1.519 0.000) 3.039 27.905 ( 3.049 1.760 0.000) 3.521 27.991 ( 5.511 3.182 0.000) 6.364 28.063 ( 3.570 2.061 0.000) 4.123 28.105 ( 0.775 0.448 0.000) 0.895 28.106 ( 0.835 0.482 0.000) 0.964 28.143 ( 0.838 0.484 0.000) 0.968 28.160 ( 2.632 1.520 0.000) 3.039 28.212 ( -1.278 -0.738 0.000) 1.475 28.278 ( -1.032 -0.596 0.000) 1.191 28.629 ( -3.188 -1.841 0.000) 3.682 29.946 ( -2.306 -1.332 0.000) 2.663 30.392 ( -7.376 -4.258 0.000) 8.517 30.477 ( 2.974 1.717 0.000) 3.434 30.681 ( -6.039 -3.487 0.000) 6.973 31.009 ( -5.017 -2.896 0.000) 5.793 31.023 ( -3.497 -2.019 0.000) 4.038 ======================= Grid point 2 (3/21) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 26.637 15.379 0.000) 30.757 1.557 ( 30.317 17.503 0.000) 35.007 2.101 ( 8.821 5.093 0.000) 10.186 2.224 ( -10.628 -6.136 0.000) 12.272 2.228 ( 19.902 11.490 0.000) 22.981 2.292 ( 6.061 3.500 0.000) 6.999 2.296 ( 7.972 4.603 0.000) 9.205 2.339 ( 30.959 17.874 0.000) 35.749 2.374 ( 2.455 1.417 0.000) 2.835 2.383 ( 3.400 1.963 0.000) 3.926 2.410 ( 6.199 3.579 0.000) 7.158 2.521 ( -3.069 -1.772 0.000) 3.543 2.541 ( 2.115 1.221 0.000) 2.442 2.581 ( 3.161 1.825 0.000) 3.650 2.599 ( -4.095 -2.364 0.000) 4.729 2.642 ( 3.545 2.047 0.000) 4.093 2.749 ( -1.869 -1.079 0.000) 2.158 2.755 ( -3.627 -2.094 0.000) 4.189 2.782 ( 0.044 0.025 0.000) 0.051 2.787 ( -9.552 -5.515 0.000) 11.029 2.824 ( 0.142 0.082 0.000) 0.164 2.846 ( -5.077 -2.931 0.000) 5.862 2.889 ( -0.942 -0.544 0.000) 1.088 2.891 ( -7.280 -4.203 0.000) 8.406 2.933 ( -5.295 -3.057 0.000) 6.114 2.937 ( -4.210 -2.430 0.000) 4.861 2.959 ( 1.814 1.047 0.000) 2.094 3.008 ( -8.497 -4.906 0.000) 9.812 3.265 ( 10.134 5.851 0.000) 11.702 3.265 ( 8.584 4.956 0.000) 9.912 3.329 ( 1.918 1.107 0.000) 2.215 3.358 ( 2.358 1.362 0.000) 2.723 3.400 ( -1.578 -0.911 0.000) 1.822 3.445 ( 0.777 0.449 0.000) 0.897 3.482 ( 5.065 2.924 0.000) 5.849 3.497 ( -0.614 -0.355 0.000) 0.709 3.507 ( 2.354 1.359 0.000) 2.718 3.537 ( 3.658 2.112 0.000) 4.223 3.539 ( 7.054 4.073 0.000) 8.145 3.553 ( 2.383 1.376 0.000) 2.752 3.569 ( 2.781 1.606 0.000) 3.211 3.597 ( -0.863 -0.498 0.000) 0.997 3.623 ( 1.224 0.707 0.000) 1.413 3.643 ( 8.283 4.782 0.000) 9.565 3.669 ( -1.399 -0.808 0.000) 1.615 3.707 ( 0.594 0.343 0.000) 0.686 3.731 ( -2.241 -1.294 0.000) 2.588 3.750 ( 0.694 0.401 0.000) 0.802 3.812 ( -0.916 -0.529 0.000) 1.058 3.819 ( -0.548 -0.317 0.000) 0.633 3.829 ( -0.141 -0.082 0.000) 0.163 3.910 ( -4.947 -2.856 0.000) 5.712 3.980 ( 2.850 1.646 0.000) 3.291 4.048 ( -3.864 -2.231 0.000) 4.462 4.098 ( -4.173 -2.409 0.000) 4.819 4.117 ( 8.635 4.985 0.000) 9.971 4.156 ( -8.218 -4.744 0.000) 9.489 4.214 ( 1.093 0.631 0.000) 1.263 4.221 ( -6.789 -3.919 0.000) 7.839 4.240 ( -4.236 -2.445 0.000) 4.891 4.284 ( 5.368 3.099 0.000) 6.199 4.304 ( -5.986 -3.456 0.000) 6.912 4.341 ( 8.995 5.193 0.000) 10.387 4.344 ( -4.349 -2.511 0.000) 5.022 4.363 ( -3.302 -1.907 0.000) 3.813 4.444 ( -11.676 -6.741 0.000) 13.483 4.447 ( 6.631 3.829 0.000) 7.657 4.478 ( -0.159 -0.092 0.000) 0.183 4.567 ( 0.999 0.577 0.000) 1.154 4.576 ( -2.276 -1.314 0.000) 2.629 4.582 ( 0.617 0.356 0.000) 0.712 4.645 ( -5.208 -3.007 0.000) 6.013 4.703 ( 2.881 1.663 0.000) 3.326 4.762 ( -5.912 -3.413 0.000) 6.826 4.819 ( -8.034 -4.638 0.000) 9.277 4.832 ( 4.223 2.438 0.000) 4.877 4.950 ( -13.553 -7.825 0.000) 15.649 4.967 ( -4.327 -2.498 0.000) 4.997 4.974 ( -3.245 -1.874 0.000) 3.747 5.013 ( -2.403 -1.387 0.000) 2.774 5.018 ( -1.854 -1.070 0.000) 2.141 5.128 ( -9.552 -5.515 0.000) 11.029 5.179 ( -0.772 -0.445 0.000) 0.891 5.227 ( -3.661 -2.114 0.000) 4.227 5.228 ( -0.651 -0.376 0.000) 0.752 5.276 ( -8.539 -4.930 0.000) 9.860 5.302 ( -6.159 -3.556 0.000) 7.112 5.385 ( 3.271 1.889 0.000) 3.777 5.461 ( 1.964 1.134 0.000) 2.268 5.533 ( -12.267 -7.082 0.000) 14.164 5.579 ( -0.664 -0.383 0.000) 0.766 5.600 ( -4.038 -2.331 0.000) 4.662 5.656 ( 4.363 2.519 0.000) 5.037 5.715 ( 4.238 2.447 0.000) 4.894 5.815 ( -1.152 -0.665 0.000) 1.330 5.850 ( -1.489 -0.860 0.000) 1.719 5.945 ( 1.951 1.127 0.000) 2.253 5.984 ( -5.215 -3.011 0.000) 6.022 6.043 ( -0.117 -0.068 0.000) 0.136 6.065 ( 2.551 1.473 0.000) 2.945 6.129 ( 1.356 0.783 0.000) 1.566 6.207 ( 1.363 0.787 0.000) 1.574 6.208 ( 1.160 0.670 0.000) 1.339 6.224 ( -0.537 -0.310 0.000) 0.621 6.244 ( 0.154 0.089 0.000) 0.178 6.346 ( 3.741 2.160 0.000) 4.320 6.364 ( 2.216 1.279 0.000) 2.559 6.387 ( -4.175 -2.411 0.000) 4.821 6.532 ( 3.180 1.836 0.000) 3.672 6.591 ( 0.771 0.445 0.000) 0.890 6.610 ( 2.438 1.408 0.000) 2.815 6.680 ( -1.240 -0.716 0.000) 1.431 6.704 ( -5.261 -3.037 0.000) 6.075 6.759 ( -3.269 -1.887 0.000) 3.774 6.767 ( 10.571 6.103 0.000) 12.206 6.891 ( 4.286 2.475 0.000) 4.950 6.922 ( 3.688 2.129 0.000) 4.259 7.009 ( -0.449 -0.259 0.000) 0.519 7.085 ( -2.790 -1.611 0.000) 3.222 7.404 ( -0.835 -0.482 0.000) 0.964 7.579 ( 0.216 0.125 0.000) 0.250 7.666 ( 4.809 2.776 0.000) 5.553 7.762 ( -4.460 -2.575 0.000) 5.150 8.171 ( 0.493 0.285 0.000) 0.569 8.230 ( -10.152 -5.861 0.000) 11.722 8.233 ( 2.327 1.343 0.000) 2.687 8.424 ( -7.731 -4.463 0.000) 8.927 8.481 ( -2.118 -1.223 0.000) 2.445 8.618 ( 2.485 1.435 0.000) 2.870 8.683 ( 0.490 0.283 0.000) 0.566 9.008 ( 1.489 0.860 0.000) 1.720 9.019 ( -1.181 -0.682 0.000) 1.363 9.068 ( 1.638 0.946 0.000) 1.891 9.076 ( 9.674 5.585 0.000) 11.171 9.167 ( 4.301 2.483 0.000) 4.966 9.248 ( -5.787 -3.341 0.000) 6.682 9.293 ( 1.074 0.620 0.000) 1.240 9.329 ( -0.047 -0.027 0.000) 0.054 9.372 ( -0.826 -0.477 0.000) 0.954 9.454 ( 2.380 1.374 0.000) 2.748 9.480 ( 3.990 2.304 0.000) 4.608 9.568 ( 5.016 2.896 0.000) 5.792 9.894 ( -15.792 -9.117 0.000) 18.235 9.947 ( -8.949 -5.167 0.000) 10.333 10.283 ( -4.404 -2.543 0.000) 5.085 10.428 ( -2.315 -1.337 0.000) 2.674 10.615 ( 1.694 0.978 0.000) 1.956 10.711 ( 1.885 1.088 0.000) 2.177 10.740 ( 4.232 2.443 0.000) 4.887 10.921 ( 5.561 3.211 0.000) 6.422 12.348 ( -4.546 -2.625 0.000) 5.250 12.542 ( -1.161 -0.670 0.000) 1.341 12.553 ( -0.740 -0.427 0.000) 0.854 12.585 ( 0.344 0.199 0.000) 0.397 12.674 ( -1.388 -0.802 0.000) 1.603 12.692 ( -0.994 -0.574 0.000) 1.148 12.753 ( 1.163 0.671 0.000) 1.343 12.930 ( 1.992 1.150 0.000) 2.300 13.096 ( 0.229 0.132 0.000) 0.265 13.373 ( -0.224 -0.129 0.000) 0.258 13.403 ( 0.754 0.435 0.000) 0.871 13.466 ( 2.707 1.563 0.000) 3.126 14.012 ( -1.003 -0.579 0.000) 1.159 14.025 ( -5.062 -2.923 0.000) 5.845 14.111 ( 1.568 0.906 0.000) 1.811 14.155 ( -0.318 -0.183 0.000) 0.367 14.173 ( 0.237 0.137 0.000) 0.274 14.255 ( 0.833 0.481 0.000) 0.962 14.313 ( 4.675 2.699 0.000) 5.398 14.404 ( 2.353 1.359 0.000) 2.718 14.493 ( -2.030 -1.172 0.000) 2.344 14.687 ( -1.092 -0.630 0.000) 1.261 14.726 ( -1.073 -0.619 0.000) 1.239 14.946 ( -0.812 -0.469 0.000) 0.938 15.072 ( 0.866 0.500 0.000) 1.000 15.075 ( -0.011 -0.006 0.000) 0.013 15.100 ( -1.330 -0.768 0.000) 1.536 15.208 ( -2.578 -1.488 0.000) 2.977 15.300 ( -0.520 -0.300 0.000) 0.600 15.342 ( 0.774 0.447 0.000) 0.894 15.352 ( 0.786 0.454 0.000) 0.908 15.371 ( -2.104 -1.215 0.000) 2.429 15.495 ( 3.255 1.879 0.000) 3.758 15.509 ( 5.235 3.023 0.000) 6.045 15.633 ( 1.767 1.020 0.000) 2.041 15.678 ( 0.327 0.189 0.000) 0.377 19.615 ( -3.707 -2.140 0.000) 4.280 19.875 ( 2.119 1.223 0.000) 2.447 19.962 ( -0.219 -0.126 0.000) 0.252 19.984 ( -1.282 -0.740 0.000) 1.481 20.020 ( 0.937 0.541 0.000) 1.083 20.128 ( -0.140 -0.081 0.000) 0.162 25.238 ( -2.172 -1.254 0.000) 2.508 25.333 ( -2.254 -1.302 0.000) 2.603 25.493 ( -0.070 -0.040 0.000) 0.081 25.584 ( 5.052 2.917 0.000) 5.833 25.595 ( 1.815 1.048 0.000) 2.096 25.954 ( -8.621 -4.977 0.000) 9.954 27.155 ( 0.850 0.491 0.000) 0.981 27.228 ( -3.097 -1.788 0.000) 3.576 27.275 ( 4.555 2.630 0.000) 5.259 27.303 ( -3.005 -1.735 0.000) 3.470 27.336 ( 1.125 0.650 0.000) 1.299 27.338 ( -0.016 -0.009 0.000) 0.019 27.338 ( 2.812 1.624 0.000) 3.247 27.341 ( 2.582 1.491 0.000) 2.982 27.436 ( 0.562 0.325 0.000) 0.649 27.466 ( -3.465 -2.000 0.000) 4.001 27.553 ( -5.052 -2.917 0.000) 5.834 27.607 ( 0.745 0.430 0.000) 0.860 27.654 ( -7.506 -4.333 0.000) 8.667 27.661 ( 2.647 1.528 0.000) 3.057 27.772 ( 0.014 0.008 0.000) 0.016 27.821 ( 2.687 1.551 0.000) 3.102 27.835 ( 8.856 5.113 0.000) 10.226 27.899 ( 2.491 1.438 0.000) 2.876 27.962 ( 3.252 1.878 0.000) 3.755 27.974 ( 5.242 3.026 0.000) 6.052 27.978 ( 1.717 0.991 0.000) 1.982 28.102 ( 3.798 2.193 0.000) 4.386 28.133 ( 1.440 0.831 0.000) 1.663 28.137 ( 2.245 1.296 0.000) 2.593 28.148 ( 3.262 1.883 0.000) 3.767 28.162 ( 0.645 0.372 0.000) 0.745 28.209 ( 1.727 0.997 0.000) 1.994 28.247 ( -1.548 -0.894 0.000) 1.788 28.255 ( 4.731 2.731 0.000) 5.463 28.539 ( -4.083 -2.357 0.000) 4.714 29.888 ( -2.309 -1.333 0.000) 2.666 30.228 ( -5.304 -3.062 0.000) 6.124 30.506 ( -8.406 -4.853 0.000) 9.706 30.573 ( 5.245 3.028 0.000) 6.057 30.865 ( -7.011 -4.048 0.000) 8.096 30.926 ( -4.381 -2.530 0.000) 5.059 ======================= Grid point 3 (4/21) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.000 0.000 0.000) 0.000 1.925 ( -0.000 -0.000 0.000) 0.000 2.115 ( -0.000 -0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.349 ( -0.000 -0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.409 ( -0.000 -0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.848 ( -0.000 -0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.428 ( -0.000 -0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.616 ( -0.000 -0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.704 ( -0.000 -0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.883 ( -0.000 -0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.694 ( -0.000 -0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.862 ( -0.000 -0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 4.970 ( -0.000 -0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.892 ( -0.000 -0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.689 ( -0.000 -0.000 0.000) 0.000 6.930 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 0.000) 0.000 6.982 ( -0.000 -0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.264 ( -0.000 -0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.127 ( -0.000 -0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 9.281 ( 0.000 0.000 0.000) 0.000 9.320 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.629 ( 0.000 0.000 0.000) 0.000 10.729 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 0.000) 0.000 10.988 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.524 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.589 ( 0.000 0.000 0.000) 0.000 12.655 ( 0.000 0.000 0.000) 0.000 12.681 ( 0.000 0.000 0.000) 0.000 12.768 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.370 ( 0.000 0.000 0.000) 0.000 13.413 ( 0.000 0.000 0.000) 0.000 13.503 ( 0.000 0.000 0.000) 0.000 13.956 ( 0.000 0.000 0.000) 0.000 14.000 ( 0.000 0.000 0.000) 0.000 14.142 ( 0.000 0.000 0.000) 0.000 14.152 ( 0.000 0.000 0.000) 0.000 14.163 ( -0.000 -0.000 0.000) 0.000 14.260 ( 0.000 0.000 0.000) 0.000 14.410 ( -0.000 -0.000 0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.443 ( 0.000 0.000 0.000) 0.000 14.675 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 14.941 ( 0.000 0.000 0.000) 0.000 15.074 ( 0.000 0.000 0.000) 0.000 15.083 ( 0.000 0.000 0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.340 ( 0.000 0.000 0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 15.358 ( 0.000 0.000 0.000) 0.000 15.539 ( 0.000 0.000 0.000) 0.000 15.584 ( 0.000 0.000 0.000) 0.000 15.650 ( 0.000 0.000 0.000) 0.000 15.670 ( 0.000 0.000 0.000) 0.000 19.572 ( 0.000 0.000 0.000) 0.000 19.903 ( 0.000 0.000 0.000) 0.000 19.958 ( 0.000 0.000 0.000) 0.000 19.969 ( 0.000 0.000 0.000) 0.000 20.031 ( 0.000 0.000 0.000) 0.000 20.124 ( 0.000 0.000 0.000) 0.000 25.213 ( 0.000 0.000 0.000) 0.000 25.301 ( 0.000 0.000 0.000) 0.000 25.492 ( 0.000 0.000 0.000) 0.000 25.617 ( 0.000 0.000 0.000) 0.000 25.672 ( 0.000 0.000 0.000) 0.000 25.832 ( 0.000 0.000 0.000) 0.000 27.189 ( 0.000 0.000 0.000) 0.000 27.191 ( 0.000 0.000 0.000) 0.000 27.225 ( 0.000 0.000 0.000) 0.000 27.330 ( 0.000 0.000 0.000) 0.000 27.339 ( 0.000 0.000 0.000) 0.000 27.383 ( -0.000 -0.000 0.000) 0.000 27.391 ( 0.000 0.000 0.000) 0.000 27.433 ( 0.000 0.000 0.000) 0.000 27.439 ( 0.000 0.000 0.000) 0.000 27.442 ( 0.000 0.000 0.000) 0.000 27.449 ( -0.000 -0.000 0.000) 0.000 27.495 ( -0.000 -0.000 0.000) 0.000 27.611 ( 0.000 0.000 0.000) 0.000 27.699 ( 0.000 0.000 0.000) 0.000 27.771 ( 0.000 0.000 0.000) 0.000 27.852 ( 0.000 0.000 0.000) 0.000 27.939 ( 0.000 0.000 0.000) 0.000 27.979 ( 0.000 0.000 0.000) 0.000 27.979 ( 0.000 0.000 0.000) 0.000 27.994 ( -0.000 -0.000 0.000) 0.000 28.003 ( -0.000 -0.000 0.000) 0.000 28.147 ( 0.000 0.000 0.000) 0.000 28.162 ( 0.000 0.000 0.000) 0.000 28.163 ( -0.000 -0.000 0.000) 0.000 28.183 ( 0.000 0.000 0.000) 0.000 28.188 ( 0.000 0.000 0.000) 0.000 28.223 ( 0.000 0.000 0.000) 0.000 28.247 ( 0.000 0.000 0.000) 0.000 28.301 ( 0.000 0.000 0.000) 0.000 28.489 ( 0.000 0.000 0.000) 0.000 29.859 ( 0.000 0.000 0.000) 0.000 30.180 ( 0.000 0.000 0.000) 0.000 30.382 ( 0.000 0.000 0.000) 0.000 30.695 ( -0.000 -0.000 0.000) 0.000 30.723 ( 0.000 0.000 0.000) 0.000 30.866 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/21) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 15.838 27.433 0.000) 31.677 1.351 ( 17.792 30.817 0.000) 35.585 2.001 ( 3.116 5.397 0.000) 6.232 2.034 ( 26.448 45.809 0.000) 52.895 2.200 ( 5.687 9.850 0.000) 11.373 2.242 ( 5.688 9.853 0.000) 11.377 2.257 ( 4.898 8.483 0.000) 9.796 2.318 ( -0.210 -0.364 0.000) 0.420 2.343 ( 1.553 2.690 0.000) 3.106 2.370 ( 7.812 13.531 0.000) 15.624 2.371 ( -1.513 -2.621 0.000) 3.027 2.502 ( 0.332 0.574 0.000) 0.663 2.530 ( 0.430 0.744 0.000) 0.859 2.541 ( -1.012 -1.753 0.000) 2.025 2.635 ( 4.401 7.623 0.000) 8.802 2.664 ( -2.080 -3.603 0.000) 4.160 2.712 ( -2.208 -3.824 0.000) 4.416 2.778 ( -0.037 -0.065 0.000) 0.075 2.812 ( 1.959 3.393 0.000) 3.918 2.818 ( -5.994 -10.382 0.000) 11.988 2.825 ( -0.260 -0.450 0.000) 0.520 2.858 ( -3.556 -6.159 0.000) 7.111 2.947 ( -0.048 -0.083 0.000) 0.096 2.952 ( -2.793 -4.838 0.000) 5.587 2.955 ( -3.066 -5.310 0.000) 6.131 2.964 ( -5.446 -9.434 0.000) 10.893 2.997 ( 1.028 1.780 0.000) 2.055 3.030 ( -5.251 -9.094 0.000) 10.501 3.190 ( 5.107 8.846 0.000) 10.214 3.281 ( 1.694 2.935 0.000) 3.389 3.298 ( 1.805 3.126 0.000) 3.609 3.363 ( 4.045 7.005 0.000) 8.089 3.393 ( 1.573 2.725 0.000) 3.146 3.413 ( 3.779 6.545 0.000) 7.557 3.422 ( -1.400 -2.426 0.000) 2.801 3.482 ( 0.040 0.069 0.000) 0.080 3.493 ( 0.927 1.606 0.000) 1.854 3.513 ( 0.681 1.180 0.000) 1.363 3.539 ( 0.965 1.672 0.000) 1.931 3.540 ( -0.027 -0.046 0.000) 0.053 3.547 ( 2.061 3.570 0.000) 4.122 3.598 ( -0.598 -1.035 0.000) 1.196 3.611 ( 4.673 8.093 0.000) 9.345 3.629 ( 0.735 1.272 0.000) 1.469 3.671 ( -0.625 -1.082 0.000) 1.250 3.713 ( 0.409 0.709 0.000) 0.819 3.730 ( 0.914 1.584 0.000) 1.829 3.793 ( 1.033 1.790 0.000) 2.067 3.798 ( -1.456 -2.521 0.000) 2.911 3.828 ( 0.258 0.447 0.000) 0.517 3.907 ( -1.145 -1.983 0.000) 2.290 3.943 ( 0.278 0.482 0.000) 0.557 3.950 ( 2.674 4.632 0.000) 5.349 3.995 ( -0.090 -0.156 0.000) 0.180 4.038 ( -1.715 -2.971 0.000) 3.430 4.114 ( -3.124 -5.412 0.000) 6.249 4.160 ( 1.634 2.831 0.000) 3.268 4.216 ( -4.624 -8.009 0.000) 9.248 4.219 ( 3.290 5.698 0.000) 6.580 4.253 ( 0.611 1.058 0.000) 1.222 4.314 ( -1.828 -3.167 0.000) 3.657 4.324 ( -1.633 -2.829 0.000) 3.266 4.363 ( 0.621 1.076 0.000) 1.243 4.391 ( -2.269 -3.930 0.000) 4.538 4.393 ( 2.533 4.387 0.000) 5.066 4.395 ( -0.591 -1.023 0.000) 1.182 4.425 ( -0.673 -1.165 0.000) 1.345 4.540 ( -4.111 -7.121 0.000) 8.223 4.546 ( -5.085 -8.808 0.000) 10.171 4.551 ( 2.368 4.101 0.000) 4.736 4.636 ( -1.686 -2.920 0.000) 3.371 4.665 ( 1.436 2.487 0.000) 2.871 4.696 ( -1.383 -2.396 0.000) 2.766 4.784 ( -6.155 -10.662 0.000) 12.311 4.805 ( 2.360 4.087 0.000) 4.719 4.865 ( -5.668 -9.817 0.000) 11.336 4.971 ( 1.876 3.250 0.000) 3.753 4.998 ( -9.486 -16.430 0.000) 18.972 5.003 ( -2.878 -4.986 0.000) 5.757 5.056 ( 0.059 0.103 0.000) 0.119 5.092 ( -0.048 -0.083 0.000) 0.095 5.162 ( -7.183 -12.441 0.000) 14.365 5.217 ( -0.185 -0.320 0.000) 0.370 5.227 ( -5.652 -9.790 0.000) 11.305 5.227 ( 1.563 2.708 0.000) 3.127 5.280 ( -4.648 -8.051 0.000) 9.297 5.333 ( -0.146 -0.252 0.000) 0.291 5.456 ( 1.540 2.667 0.000) 3.080 5.508 ( -1.157 -2.004 0.000) 2.314 5.549 ( -3.393 -5.876 0.000) 6.785 5.565 ( -2.760 -4.780 0.000) 5.520 5.603 ( -5.796 -10.039 0.000) 11.592 5.654 ( 1.328 2.300 0.000) 2.656 5.662 ( 1.546 2.678 0.000) 3.092 5.732 ( -1.956 -3.389 0.000) 3.913 5.849 ( -2.451 -4.245 0.000) 4.902 5.989 ( 2.381 4.124 0.000) 4.762 6.029 ( 1.109 1.921 0.000) 2.219 6.036 ( -2.065 -3.576 0.000) 4.130 6.057 ( 1.348 2.334 0.000) 2.695 6.144 ( 0.291 0.505 0.000) 0.583 6.151 ( 0.718 1.244 0.000) 1.437 6.172 ( -0.048 -0.084 0.000) 0.097 6.267 ( 0.833 1.443 0.000) 1.666 6.289 ( 0.563 0.975 0.000) 1.126 6.293 ( 1.679 2.908 0.000) 3.358 6.327 ( 2.171 3.760 0.000) 4.341 6.501 ( 0.343 0.595 0.000) 0.687 6.513 ( 1.311 2.270 0.000) 2.621 6.559 ( 1.032 1.787 0.000) 2.064 6.594 ( 0.928 1.607 0.000) 1.855 6.632 ( 2.548 4.413 0.000) 5.096 6.719 ( 0.939 1.626 0.000) 1.878 6.733 ( -2.281 -3.951 0.000) 4.562 6.762 ( -1.771 -3.067 0.000) 3.542 6.884 ( 2.541 4.402 0.000) 5.083 6.890 ( 2.363 4.093 0.000) 4.726 7.009 ( 0.634 1.098 0.000) 1.268 7.105 ( -1.659 -2.873 0.000) 3.317 7.420 ( -0.398 -0.689 0.000) 0.796 7.586 ( -0.637 -1.103 0.000) 1.273 7.634 ( 2.303 3.990 0.000) 4.607 7.811 ( -2.158 -3.738 0.000) 4.316 8.177 ( -0.678 -1.175 0.000) 1.357 8.183 ( -0.057 -0.099 0.000) 0.114 8.300 ( -5.398 -9.350 0.000) 10.796 8.508 ( -2.156 -3.734 0.000) 4.312 8.517 ( 0.602 1.042 0.000) 1.203 8.585 ( -1.487 -2.576 0.000) 2.974 8.617 ( -1.605 -2.780 0.000) 3.210 9.000 ( 0.987 1.710 0.000) 1.974 9.015 ( 4.429 7.671 0.000) 8.858 9.026 ( 0.630 1.092 0.000) 1.260 9.093 ( 1.489 2.579 0.000) 2.978 9.107 ( 2.210 3.828 0.000) 4.420 9.280 ( -3.340 -5.785 0.000) 6.680 9.297 ( -0.099 -0.171 0.000) 0.198 9.306 ( -0.336 -0.582 0.000) 0.671 9.444 ( 1.877 3.251 0.000) 3.754 9.445 ( 1.490 2.581 0.000) 2.980 9.459 ( 2.832 4.906 0.000) 5.665 9.505 ( 2.694 4.666 0.000) 5.388 9.987 ( -6.769 -11.724 0.000) 13.538 10.064 ( -3.838 -6.647 0.000) 7.676 10.212 ( -9.095 -15.753 0.000) 18.189 10.390 ( -3.382 -5.858 0.000) 6.764 10.624 ( 4.255 7.370 0.000) 8.510 10.722 ( 1.275 2.209 0.000) 2.550 10.783 ( 3.998 6.925 0.000) 7.996 10.858 ( 3.110 5.386 0.000) 6.219 12.408 ( -2.522 -4.368 0.000) 5.043 12.498 ( -1.167 -2.022 0.000) 2.334 12.560 ( -0.827 -1.432 0.000) 1.654 12.592 ( -0.005 -0.008 0.000) 0.009 12.687 ( -0.465 -0.805 0.000) 0.930 12.695 ( -1.028 -1.781 0.000) 2.056 12.745 ( 0.677 1.172 0.000) 1.354 12.928 ( 1.767 3.061 0.000) 3.535 13.095 ( 0.157 0.272 0.000) 0.314 13.374 ( 0.122 0.212 0.000) 0.245 13.418 ( 0.780 1.351 0.000) 1.560 13.428 ( 1.013 1.755 0.000) 2.027 13.995 ( -2.759 -4.779 0.000) 5.518 14.068 ( -0.155 -0.268 0.000) 0.309 14.110 ( -0.537 -0.930 0.000) 1.074 14.165 ( -0.718 -1.244 0.000) 1.437 14.173 ( 1.231 2.132 0.000) 2.462 14.225 ( 2.113 3.660 0.000) 4.226 14.325 ( 2.751 4.765 0.000) 5.502 14.361 ( -0.648 -1.123 0.000) 1.297 14.513 ( -0.096 -0.166 0.000) 0.191 14.693 ( -0.931 -1.613 0.000) 1.862 14.730 ( -0.706 -1.223 0.000) 1.412 14.967 ( -0.221 -0.382 0.000) 0.442 15.041 ( -1.117 -1.935 0.000) 2.234 15.073 ( -0.031 -0.053 0.000) 0.061 15.103 ( -0.769 -1.333 0.000) 1.539 15.281 ( -0.227 -0.393 0.000) 0.454 15.303 ( 0.544 0.943 0.000) 1.089 15.336 ( 0.587 1.017 0.000) 1.174 15.337 ( 1.491 2.582 0.000) 2.982 15.355 ( -2.850 -4.937 0.000) 5.701 15.458 ( 1.873 3.244 0.000) 3.746 15.480 ( 2.346 4.064 0.000) 4.692 15.639 ( 1.934 3.349 0.000) 3.868 15.664 ( 0.128 0.222 0.000) 0.257 19.639 ( -2.707 -4.689 0.000) 5.414 19.860 ( 1.397 2.419 0.000) 2.794 19.980 ( -0.228 -0.395 0.000) 0.456 19.994 ( -0.866 -1.499 0.000) 1.731 20.001 ( 0.911 1.577 0.000) 1.821 20.127 ( -0.084 -0.145 0.000) 0.168 25.226 ( -2.636 -4.567 0.000) 5.273 25.412 ( 1.616 2.800 0.000) 3.233 25.447 ( -1.000 -1.733 0.000) 2.001 25.568 ( 0.913 1.581 0.000) 1.825 25.577 ( 2.270 3.931 0.000) 4.539 26.009 ( -5.747 -9.953 0.000) 11.493 27.175 ( 0.821 1.421 0.000) 1.641 27.207 ( 0.639 1.107 0.000) 1.278 27.249 ( 0.813 1.408 0.000) 1.626 27.253 ( -2.219 -3.843 0.000) 4.437 27.290 ( -1.060 -1.836 0.000) 2.120 27.330 ( -0.733 -1.270 0.000) 1.466 27.341 ( 0.887 1.537 0.000) 1.774 27.384 ( -1.127 -1.952 0.000) 2.254 27.466 ( 1.316 2.280 0.000) 2.632 27.553 ( -0.331 -0.573 0.000) 0.662 27.586 ( 0.124 0.214 0.000) 0.248 27.590 ( -1.846 -3.198 0.000) 3.692 27.607 ( 3.164 5.480 0.000) 6.328 27.724 ( 0.554 0.959 0.000) 1.108 27.751 ( 2.302 3.986 0.000) 4.603 27.751 ( -3.717 -6.439 0.000) 7.435 27.861 ( 4.189 7.256 0.000) 8.379 27.907 ( 2.412 4.177 0.000) 4.823 27.908 ( 4.550 7.880 0.000) 9.099 27.919 ( 0.919 1.592 0.000) 1.838 27.997 ( 3.351 5.803 0.000) 6.701 28.065 ( 1.941 3.362 0.000) 3.883 28.114 ( 2.038 3.529 0.000) 4.075 28.120 ( 0.593 1.028 0.000) 1.187 28.124 ( 0.770 1.334 0.000) 1.541 28.166 ( 0.922 1.598 0.000) 1.845 28.198 ( 0.013 0.023 0.000) 0.026 28.218 ( 2.418 4.187 0.000) 4.835 28.256 ( -0.745 -1.291 0.000) 1.491 28.565 ( -2.490 -4.313 0.000) 4.981 29.903 ( -1.481 -2.564 0.000) 2.961 30.265 ( -3.971 -6.879 0.000) 7.943 30.542 ( 2.680 4.642 0.000) 5.360 30.555 ( -5.063 -8.770 0.000) 10.126 30.908 ( -3.888 -6.734 0.000) 7.776 30.950 ( -2.879 -4.986 0.000) 5.758 ======================= Grid point 9 (6/21) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 17.027 21.357 0.000) 27.314 1.902 ( 17.786 13.619 0.000) 22.401 2.101 ( -17.131 -5.361 0.000) 17.950 2.153 ( 9.395 3.076 0.000) 9.886 2.317 ( -6.826 -2.325 0.000) 7.211 2.324 ( 5.313 -5.598 0.000) 7.718 2.344 ( 2.141 -2.161 0.000) 3.042 2.348 ( -3.633 -8.474 0.000) 9.220 2.348 ( 1.061 1.397 0.000) 1.754 2.424 ( 4.673 -3.667 0.000) 5.940 2.459 ( -4.775 3.196 0.000) 5.746 2.503 ( 0.551 -3.550 0.000) 3.592 2.575 ( 1.844 0.963 0.000) 2.080 2.604 ( 0.002 1.770 0.000) 1.770 2.642 ( -1.815 -5.116 0.000) 5.429 2.668 ( -2.951 3.459 0.000) 4.546 2.693 ( 0.811 -0.619 0.000) 1.020 2.753 ( 3.467 -2.345 0.000) 4.186 2.775 ( 0.207 -0.770 0.000) 0.798 2.822 ( 0.650 -1.358 0.000) 1.505 2.832 ( -0.802 -3.904 0.000) 3.986 2.852 ( 0.830 4.884 0.000) 4.954 2.855 ( -3.805 -4.680 0.000) 6.031 2.883 ( 2.219 3.259 0.000) 3.943 2.927 ( -1.729 5.061 0.000) 5.348 2.979 ( -6.752 5.441 0.000) 8.671 2.987 ( 7.023 15.003 0.000) 16.565 3.086 ( 10.834 17.732 0.000) 20.780 3.348 ( 0.025 3.603 0.000) 3.603 3.383 ( -1.496 0.868 0.000) 1.730 3.396 ( 4.812 5.697 0.000) 7.457 3.412 ( -0.410 2.073 0.000) 2.113 3.416 ( 4.010 8.207 0.000) 9.134 3.471 ( 0.146 -0.387 0.000) 0.413 3.492 ( 0.757 4.477 0.000) 4.541 3.495 ( -1.025 0.264 0.000) 1.059 3.548 ( -1.207 -1.304 0.000) 1.777 3.556 ( -0.170 0.221 0.000) 0.278 3.560 ( 5.865 0.842 0.000) 5.925 3.579 ( 0.945 -3.148 0.000) 3.287 3.600 ( 6.299 2.074 0.000) 6.632 3.628 ( -1.893 1.829 0.000) 2.632 3.631 ( -0.741 4.478 0.000) 4.539 3.696 ( 2.189 -0.434 0.000) 2.232 3.728 ( 0.424 1.750 0.000) 1.801 3.746 ( 1.008 3.360 0.000) 3.508 3.764 ( 5.432 2.716 0.000) 6.073 3.783 ( -1.248 2.883 0.000) 3.142 3.818 ( 0.164 1.708 0.000) 1.716 3.828 ( 2.103 1.930 0.000) 2.854 3.868 ( -1.486 5.282 0.000) 5.487 3.890 ( -7.700 -0.875 0.000) 7.749 3.923 ( -4.242 -7.726 0.000) 8.814 3.985 ( -4.029 -6.581 0.000) 7.716 4.030 ( -10.466 -5.719 0.000) 11.927 4.034 ( 3.126 3.224 0.000) 4.490 4.120 ( 1.172 -5.027 0.000) 5.162 4.160 ( 8.588 -1.269 0.000) 8.681 4.198 ( -6.119 -1.560 0.000) 6.314 4.213 ( 0.437 1.130 0.000) 1.211 4.257 ( 2.415 -6.167 0.000) 6.623 4.269 ( -1.975 -2.303 0.000) 3.034 4.303 ( -3.206 -3.729 0.000) 4.918 4.368 ( -5.267 0.923 0.000) 5.347 4.377 ( -0.483 -1.641 0.000) 1.710 4.447 ( 0.906 2.881 0.000) 3.020 4.464 ( 0.759 -1.450 0.000) 1.636 4.465 ( 1.661 3.338 0.000) 3.729 4.536 ( -5.872 -3.262 0.000) 6.717 4.539 ( 0.843 -1.628 0.000) 1.834 4.570 ( 6.240 1.192 0.000) 6.353 4.625 ( 2.805 -8.261 0.000) 8.724 4.687 ( -1.693 5.556 0.000) 5.808 4.714 ( -2.615 -7.216 0.000) 7.675 4.746 ( -1.204 1.195 0.000) 1.697 4.758 ( 0.700 -5.610 0.000) 5.653 4.857 ( -7.825 -8.046 0.000) 11.223 4.866 ( 0.283 -5.913 0.000) 5.920 4.883 ( -2.184 -9.280 0.000) 9.534 5.004 ( 0.168 3.989 0.000) 3.993 5.068 ( -1.318 3.424 0.000) 3.669 5.079 ( -2.750 6.903 0.000) 7.431 5.151 ( 2.424 -4.093 0.000) 4.757 5.186 ( -1.215 -2.690 0.000) 2.952 5.215 ( -0.246 0.226 0.000) 0.333 5.228 ( -4.214 0.452 0.000) 4.238 5.299 ( -2.336 -2.267 0.000) 3.255 5.319 ( -2.908 -0.821 0.000) 3.022 5.362 ( -7.853 -8.316 0.000) 11.438 5.447 ( -0.198 -8.247 0.000) 8.249 5.536 ( 5.646 -4.678 0.000) 7.332 5.594 ( 0.559 2.566 0.000) 2.626 5.675 ( -0.211 0.133 0.000) 0.250 5.701 ( 2.498 -5.255 0.000) 5.819 5.757 ( 4.657 3.787 0.000) 6.002 5.772 ( 0.691 -6.261 0.000) 6.299 5.924 ( -5.313 -3.920 0.000) 6.603 6.055 ( -1.234 6.458 0.000) 6.575 6.068 ( -0.914 2.772 0.000) 2.919 6.100 ( 1.424 1.897 0.000) 2.371 6.161 ( -0.106 1.854 0.000) 1.857 6.175 ( 1.145 -1.916 0.000) 2.232 6.187 ( 2.817 0.510 0.000) 2.863 6.255 ( -1.697 -0.197 0.000) 1.709 6.275 ( -3.029 2.356 0.000) 3.837 6.370 ( 1.055 -0.773 0.000) 1.308 6.377 ( 3.451 1.860 0.000) 3.920 6.418 ( -5.547 2.060 0.000) 5.917 6.532 ( 2.433 -3.994 0.000) 4.677 6.578 ( 0.789 -6.373 0.000) 6.422 6.630 ( 2.309 0.450 0.000) 2.352 6.653 ( -0.473 2.519 0.000) 2.563 6.686 ( -3.234 4.316 0.000) 5.393 6.694 ( -1.790 -3.640 0.000) 4.056 6.879 ( 7.068 4.696 0.000) 8.486 6.954 ( 1.678 2.596 0.000) 3.091 6.964 ( 1.452 2.138 0.000) 2.584 6.998 ( -1.196 -0.541 0.000) 1.313 7.040 ( -2.290 -2.948 0.000) 3.733 7.457 ( -0.056 6.006 0.000) 6.006 7.608 ( 0.421 2.279 0.000) 2.317 7.700 ( -1.206 -2.505 0.000) 2.781 7.765 ( 1.939 5.328 0.000) 5.670 8.082 ( -5.081 -8.270 0.000) 9.706 8.196 ( 1.689 -4.569 0.000) 4.871 8.227 ( 3.480 5.822 0.000) 6.783 8.381 ( -9.959 -0.036 0.000) 9.959 8.479 ( -1.995 0.860 0.000) 2.173 8.586 ( 3.667 -7.583 0.000) 8.424 8.604 ( 4.034 -3.900 0.000) 5.611 9.007 ( -1.439 -0.481 0.000) 1.517 9.025 ( 0.324 0.409 0.000) 0.522 9.112 ( 0.085 1.472 0.000) 1.475 9.167 ( -1.632 -0.811 0.000) 1.823 9.202 ( 1.536 -0.142 0.000) 1.543 9.234 ( 8.667 10.515 0.000) 13.626 9.288 ( -0.117 -2.113 0.000) 2.116 9.322 ( 1.063 1.810 0.000) 2.099 9.467 ( -3.336 6.386 0.000) 7.205 9.496 ( -0.796 2.508 0.000) 2.631 9.567 ( 2.166 6.511 0.000) 6.862 9.598 ( 3.552 0.055 0.000) 3.552 9.716 ( -11.786 -8.436 0.000) 14.494 9.846 ( -7.724 -5.261 0.000) 9.345 10.054 ( 6.446 -16.239 0.000) 17.472 10.312 ( 1.742 -7.010 0.000) 7.223 10.704 ( -2.821 6.282 0.000) 6.887 10.779 ( 2.946 1.279 0.000) 3.212 10.855 ( -3.170 7.961 0.000) 8.569 10.962 ( 3.424 1.044 0.000) 3.579 12.334 ( -3.237 1.135 0.000) 3.431 12.480 ( 2.516 -4.912 0.000) 5.519 12.538 ( -1.011 0.338 0.000) 1.066 12.587 ( 0.282 -0.909 0.000) 0.951 12.664 ( -0.947 -0.151 0.000) 0.959 12.678 ( 0.059 -0.696 0.000) 0.699 12.764 ( 0.485 0.411 0.000) 0.636 12.974 ( 0.086 2.463 0.000) 2.464 13.101 ( 0.066 0.337 0.000) 0.344 13.383 ( -0.257 1.355 0.000) 1.379 13.425 ( -0.747 1.231 0.000) 1.440 13.473 ( 2.403 -0.730 0.000) 2.512 13.896 ( -0.743 -5.860 0.000) 5.907 14.057 ( -1.658 1.885 0.000) 2.510 14.115 ( 1.220 -0.945 0.000) 1.543 14.162 ( 0.305 1.374 0.000) 1.407 14.194 ( -1.228 1.365 0.000) 1.836 14.265 ( -0.212 0.507 0.000) 0.549 14.373 ( 2.491 1.906 0.000) 3.137 14.418 ( 2.314 1.399 0.000) 2.704 14.484 ( -2.477 -0.181 0.000) 2.483 14.673 ( -0.084 -0.532 0.000) 0.538 14.702 ( -0.467 -1.693 0.000) 1.756 14.966 ( -1.497 1.941 0.000) 2.451 15.020 ( 2.153 -2.810 0.000) 3.540 15.077 ( -0.436 -0.422 0.000) 0.607 15.089 ( 0.528 -0.143 0.000) 0.547 15.241 ( -4.159 1.897 0.000) 4.572 15.285 ( 0.484 -2.228 0.000) 2.280 15.301 ( 0.034 -1.712 0.000) 1.712 15.349 ( 0.190 0.241 0.000) 0.307 15.401 ( 0.577 2.584 0.000) 2.647 15.522 ( 3.391 0.267 0.000) 3.401 15.556 ( 0.860 3.396 0.000) 3.503 15.650 ( 0.266 -1.844 0.000) 1.863 15.675 ( -0.366 0.679 0.000) 0.772 19.569 ( -1.045 -2.069 0.000) 2.318 19.907 ( 1.026 1.954 0.000) 2.207 19.962 ( -0.793 -0.489 0.000) 0.931 19.968 ( -0.462 -0.762 0.000) 0.891 20.036 ( 0.691 1.584 0.000) 1.728 20.116 ( -0.140 -1.332 0.000) 1.339 25.155 ( 0.158 -4.472 0.000) 4.475 25.391 ( -3.787 3.837 0.000) 5.391 25.484 ( 1.568 0.652 0.000) 1.698 25.593 ( 1.582 -1.047 0.000) 1.897 25.662 ( 2.733 3.927 0.000) 4.784 25.843 ( -4.034 -5.758 0.000) 7.031 27.191 ( -1.079 -1.895 0.000) 2.181 27.197 ( 0.516 2.926 0.000) 2.971 27.249 ( -0.600 -1.244 0.000) 1.381 27.260 ( 1.739 -1.998 0.000) 2.649 27.278 ( 1.419 -2.066 0.000) 2.506 27.310 ( 1.135 -3.437 0.000) 3.620 27.322 ( 1.230 -2.098 0.000) 2.432 27.417 ( 5.031 0.855 0.000) 5.103 27.486 ( -2.413 4.348 0.000) 4.973 27.528 ( -2.934 3.735 0.000) 4.750 27.535 ( -3.699 0.976 0.000) 3.825 27.591 ( -7.167 -2.777 0.000) 7.686 27.599 ( 1.045 -1.010 0.000) 1.453 27.708 ( 1.239 3.932 0.000) 4.123 27.774 ( 1.048 2.262 0.000) 2.493 27.828 ( 3.132 0.311 0.000) 3.147 27.932 ( 0.762 -0.524 0.000) 0.925 27.969 ( 1.660 5.416 0.000) 5.664 27.988 ( 1.905 2.911 0.000) 3.479 28.005 ( 1.167 0.615 0.000) 1.319 28.035 ( -3.286 3.345 0.000) 4.689 28.137 ( 4.282 -1.707 0.000) 4.609 28.146 ( 1.526 0.105 0.000) 1.530 28.152 ( 0.964 0.895 0.000) 1.316 28.171 ( -0.048 3.241 0.000) 3.241 28.195 ( -0.345 1.931 0.000) 1.961 28.222 ( -0.117 -1.069 0.000) 1.075 28.231 ( 2.093 0.777 0.000) 2.232 28.287 ( 0.890 -0.399 0.000) 0.975 28.493 ( -1.279 -1.660 0.000) 2.096 29.862 ( -0.823 -1.010 0.000) 1.303 30.187 ( -0.556 -0.057 0.000) 0.559 30.379 ( -4.071 -7.430 0.000) 8.473 30.650 ( 4.499 4.380 0.000) 6.279 30.773 ( -5.023 -4.286 0.000) 6.603 30.855 ( -1.547 -4.401 0.000) 4.665 ======================= Grid point 15 (7/21) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -6.873 -11.905 0.000) 13.746 1.971 ( 6.873 11.905 0.000) 13.746 1.995 ( -0.000 -0.000 0.000) 0.000 2.149 ( -0.000 -0.000 0.000) 0.000 2.204 ( -1.389 -2.407 0.000) 2.779 2.204 ( 1.389 2.407 0.000) 2.779 2.341 ( -0.000 -0.000 0.000) 0.000 2.363 ( -0.255 -0.442 0.000) 0.511 2.363 ( 0.255 0.442 0.000) 0.511 2.443 ( -0.000 -0.000 0.000) 0.000 2.471 ( -0.000 -0.000 0.000) 0.000 2.489 ( -6.032 -10.448 0.000) 12.064 2.489 ( 6.032 10.448 0.000) 12.064 2.618 ( -0.000 -0.000 0.000) 0.000 2.634 ( -1.564 -2.709 0.000) 3.128 2.634 ( 1.564 2.709 0.000) 3.128 2.737 ( -1.914 -3.315 0.000) 3.828 2.737 ( 1.914 3.315 0.000) 3.828 2.761 ( -2.267 -3.926 0.000) 4.534 2.761 ( 2.267 3.926 0.000) 4.534 2.765 ( -0.000 -0.000 0.000) 0.000 2.810 ( -0.000 -0.000 0.000) 0.000 2.857 ( -0.000 -0.000 0.000) 0.000 2.997 ( -1.898 -3.288 0.000) 3.796 2.997 ( 1.898 3.288 0.000) 3.796 3.044 ( -2.114 -3.661 0.000) 4.228 3.044 ( 2.114 3.661 0.000) 4.228 3.429 ( -0.507 -0.878 0.000) 1.013 3.429 ( 0.507 0.878 0.000) 1.013 3.453 ( -0.751 -1.300 0.000) 1.501 3.453 ( 0.751 1.300 0.000) 1.501 3.482 ( 0.000 0.000 0.000) 0.000 3.486 ( -3.350 -5.802 0.000) 6.699 3.486 ( 3.350 5.802 0.000) 6.699 3.498 ( -0.000 -0.000 0.000) 0.000 3.520 ( -0.000 -0.000 0.000) 0.000 3.557 ( -4.420 -7.656 0.000) 8.840 3.557 ( 0.037 0.063 0.000) 0.073 3.557 ( 4.384 7.593 0.000) 8.767 3.591 ( -1.160 -2.010 0.000) 2.321 3.591 ( 1.160 2.010 0.000) 2.321 3.624 ( -0.000 -0.000 0.000) 0.000 3.679 ( -0.000 -0.000 0.000) 0.000 3.716 ( -1.236 -2.141 0.000) 2.473 3.716 ( 1.236 2.141 0.000) 2.473 3.734 ( -0.618 -1.070 0.000) 1.235 3.734 ( 0.618 1.070 0.000) 1.235 3.833 ( -0.000 -0.000 0.000) 0.000 3.868 ( -5.256 -9.103 0.000) 10.511 3.868 ( 5.256 9.103 0.000) 10.511 3.874 ( -0.000 -0.000 0.000) 0.000 3.944 ( -0.000 -0.000 0.000) 0.000 3.949 ( -0.680 -1.179 0.000) 1.361 3.949 ( 0.680 1.179 0.000) 1.361 3.949 ( -3.352 -5.806 0.000) 6.704 3.949 ( 3.352 5.806 0.000) 6.704 4.087 ( -0.000 -0.000 0.000) 0.000 4.099 ( -0.000 -0.000 0.000) 0.000 4.121 ( -0.000 -0.000 0.000) 0.000 4.242 ( -0.986 -1.708 0.000) 1.972 4.242 ( 0.986 1.708 0.000) 1.972 4.287 ( -3.058 -5.296 0.000) 6.116 4.287 ( 3.058 5.296 0.000) 6.116 4.291 ( -2.593 -4.492 0.000) 5.187 4.291 ( 2.593 4.492 0.000) 5.187 4.448 ( -0.482 -0.835 0.000) 0.964 4.448 ( 0.482 0.835 0.000) 0.964 4.485 ( -0.000 -0.000 0.000) 0.000 4.565 ( -1.972 -3.415 0.000) 3.944 4.565 ( 1.972 3.415 0.000) 3.944 4.578 ( 0.000 0.000 0.000) 0.000 4.588 ( -1.866 -3.232 0.000) 3.732 4.588 ( 1.866 3.232 0.000) 3.732 4.687 ( -0.000 -0.000 0.000) 0.000 4.690 ( -0.000 -0.000 0.000) 0.000 4.753 ( -0.000 -0.000 0.000) 0.000 4.762 ( -0.936 -1.621 0.000) 1.872 4.762 ( 0.936 1.621 0.000) 1.872 4.848 ( -0.000 -0.000 0.000) 0.000 5.079 ( -0.999 -1.730 0.000) 1.998 5.079 ( 0.999 1.730 0.000) 1.998 5.109 ( -0.000 -0.000 0.000) 0.000 5.155 ( -0.000 -0.000 0.000) 0.000 5.205 ( -0.974 -1.686 0.000) 1.947 5.205 ( 0.974 1.686 0.000) 1.947 5.222 ( -0.000 -0.000 0.000) 0.000 5.259 ( -0.000 -0.000 0.000) 0.000 5.271 ( -2.127 -3.684 0.000) 4.254 5.271 ( 2.127 3.684 0.000) 4.254 5.430 ( -1.834 -3.177 0.000) 3.668 5.430 ( 1.834 3.177 0.000) 3.668 5.554 ( -0.000 -0.000 0.000) 0.000 5.675 ( -1.211 -2.098 0.000) 2.423 5.675 ( 1.211 2.098 0.000) 2.423 5.773 ( -2.270 -3.933 0.000) 4.541 5.773 ( 2.270 3.933 0.000) 4.541 5.855 ( 0.000 0.000 0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.129 ( -0.856 -1.482 0.000) 1.711 6.129 ( 0.856 1.482 0.000) 1.711 6.141 ( -0.000 -0.000 0.000) 0.000 6.195 ( -0.000 -0.000 0.000) 0.000 6.220 ( -1.432 -2.481 0.000) 2.864 6.220 ( 1.432 2.481 0.000) 2.864 6.331 ( -1.461 -2.531 0.000) 2.923 6.331 ( 1.461 2.531 0.000) 2.923 6.436 ( -2.109 -3.653 0.000) 4.218 6.436 ( 2.109 3.653 0.000) 4.218 6.464 ( -1.946 -3.370 0.000) 3.892 6.464 ( 1.946 3.370 0.000) 3.892 6.642 ( -0.691 -1.197 0.000) 1.383 6.642 ( 0.691 1.197 0.000) 1.383 6.669 ( -0.000 -0.000 0.000) 0.000 6.765 ( -0.000 -0.000 0.000) 0.000 6.968 ( -2.193 -3.798 0.000) 4.386 6.968 ( 2.193 3.798 0.000) 4.386 6.977 ( -0.000 -0.000 0.000) 0.000 6.992 ( -0.126 -0.218 0.000) 0.252 6.992 ( 0.126 0.218 0.000) 0.252 7.599 ( -3.559 -6.165 0.000) 7.118 7.599 ( 3.559 6.165 0.000) 7.118 7.636 ( -0.000 -0.000 0.000) 0.000 7.912 ( -4.350 -7.535 0.000) 8.701 7.912 ( 4.350 7.535 0.000) 8.701 8.134 ( -0.000 -0.000 0.000) 0.000 8.389 ( -2.533 -4.388 0.000) 5.066 8.389 ( 2.533 4.388 0.000) 5.066 8.392 ( 0.000 0.000 0.000) 0.000 8.528 ( -1.793 -3.105 0.000) 3.585 8.528 ( 1.793 3.105 0.000) 3.585 9.001 ( -0.000 -0.000 0.000) 0.000 9.024 ( -0.000 -0.000 0.000) 0.000 9.110 ( -0.000 -0.000 0.000) 0.000 9.195 ( -0.559 -0.969 0.000) 1.119 9.195 ( 0.559 0.969 0.000) 1.119 9.258 ( -0.000 -0.000 0.000) 0.000 9.341 ( -0.000 -0.000 0.000) 0.000 9.456 ( -4.668 -8.085 0.000) 9.336 9.456 ( 4.668 8.085 0.000) 9.336 9.567 ( -1.653 -2.863 0.000) 3.306 9.567 ( 1.653 2.863 0.000) 3.306 9.617 ( -0.000 -0.000 0.000) 0.000 9.734 ( -4.727 -8.187 0.000) 9.453 9.734 ( 4.727 8.187 0.000) 9.453 9.811 ( -0.000 -0.000 0.000) 0.000 10.237 ( -0.000 -0.000 0.000) 0.000 10.782 ( -0.592 -1.026 0.000) 1.184 10.782 ( 0.592 1.026 0.000) 1.184 10.956 ( -1.059 -1.834 0.000) 2.117 10.956 ( 1.059 1.834 0.000) 2.117 12.387 ( -2.035 -3.524 0.000) 4.069 12.387 ( 2.035 3.524 0.000) 4.069 12.559 ( -0.791 -1.370 0.000) 1.582 12.559 ( 0.791 1.370 0.000) 1.582 12.667 ( -0.203 -0.352 0.000) 0.406 12.667 ( 0.203 0.352 0.000) 0.406 12.768 ( -0.000 -0.000 0.000) 0.000 13.001 ( -0.000 -0.000 0.000) 0.000 13.105 ( -0.000 -0.000 0.000) 0.000 13.421 ( -0.957 -1.657 0.000) 1.914 13.421 ( 0.957 1.657 0.000) 1.914 13.460 ( -0.000 -0.000 0.000) 0.000 13.832 ( -0.000 -0.000 0.000) 0.000 14.089 ( -0.739 -1.280 0.000) 1.478 14.089 ( 0.739 1.280 0.000) 1.478 14.194 ( -0.683 -1.183 0.000) 1.366 14.194 ( 0.683 1.183 0.000) 1.366 14.269 ( -0.000 -0.000 0.000) 0.000 14.414 ( -1.050 -1.818 0.000) 2.099 14.414 ( 1.050 1.818 0.000) 2.099 14.487 ( -0.000 -0.000 0.000) 0.000 14.674 ( -0.382 -0.661 0.000) 0.763 14.674 ( 0.382 0.661 0.000) 0.763 14.968 ( -0.000 -0.000 0.000) 0.000 15.049 ( -1.719 -2.977 0.000) 3.438 15.049 ( 1.719 2.977 0.000) 3.438 15.074 ( -0.000 -0.000 0.000) 0.000 15.264 ( -0.000 -0.000 0.000) 0.000 15.267 ( -0.439 -0.760 0.000) 0.877 15.267 ( 0.439 0.760 0.000) 0.877 15.351 ( -0.000 -0.000 0.000) 0.000 15.436 ( -0.000 -0.000 0.000) 0.000 15.558 ( -1.540 -2.667 0.000) 3.079 15.558 ( 1.540 2.667 0.000) 3.079 15.655 ( -1.245 -2.157 0.000) 2.490 15.655 ( 1.245 2.157 0.000) 2.490 19.547 ( -0.000 -0.000 0.000) 0.000 19.942 ( -0.724 -1.253 0.000) 1.447 19.942 ( 0.724 1.253 0.000) 1.447 19.960 ( -0.000 -0.000 0.000) 0.000 20.078 ( -1.155 -2.001 0.000) 2.310 20.078 ( 1.155 2.001 0.000) 2.310 25.107 ( -0.000 -0.000 0.000) 0.000 25.420 ( -0.000 -0.000 0.000) 0.000 25.544 ( -1.920 -3.326 0.000) 3.840 25.544 ( 1.920 3.326 0.000) 3.840 25.741 ( -2.209 -3.827 0.000) 4.419 25.741 ( 2.209 3.827 0.000) 4.419 27.168 ( -0.000 -0.000 0.000) 0.000 27.213 ( -0.000 -0.000 0.000) 0.000 27.261 ( -1.074 -1.860 0.000) 2.148 27.261 ( 1.074 1.860 0.000) 2.148 27.267 ( -0.422 -0.731 0.000) 0.844 27.267 ( 0.422 0.731 0.000) 0.844 27.269 ( -0.000 -0.000 0.000) 0.000 27.464 ( -2.130 -3.689 0.000) 4.260 27.464 ( 2.130 3.689 0.000) 4.260 27.534 ( -0.000 -0.000 0.000) 0.000 27.575 ( -0.730 -1.264 0.000) 1.460 27.575 ( 0.730 1.264 0.000) 1.460 27.589 ( -0.000 -0.000 0.000) 0.000 27.798 ( -1.915 -3.316 0.000) 3.829 27.798 ( 1.915 3.316 0.000) 3.829 27.864 ( -2.647 -4.585 0.000) 5.295 27.864 ( 2.647 4.585 0.000) 5.295 28.006 ( -0.000 -0.000 0.000) 0.000 28.030 ( -0.000 -0.000 0.000) 0.000 28.060 ( -1.323 -2.291 0.000) 2.645 28.060 ( 1.323 2.291 0.000) 2.645 28.096 ( -0.000 -0.000 0.000) 0.000 28.153 ( -0.307 -0.532 0.000) 0.614 28.153 ( 0.307 0.532 0.000) 0.614 28.200 ( -0.000 -0.000 0.000) 0.000 28.224 ( -0.791 -1.371 0.000) 1.583 28.224 ( 0.791 1.371 0.000) 1.583 28.249 ( -1.270 -2.200 0.000) 2.540 28.249 ( 1.270 2.200 0.000) 2.540 28.479 ( -0.000 -0.000 0.000) 0.000 29.852 ( -0.000 -0.000 0.000) 0.000 30.244 ( -2.773 -4.802 0.000) 5.545 30.244 ( 2.773 4.802 0.000) 5.545 30.697 ( 0.000 0.000 0.000) 0.000 30.766 ( -2.026 -3.509 0.000) 4.052 30.766 ( 2.026 3.509 0.000) 4.052 ======================= Grid point 43 (8/21) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 14 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 0.000 34.120) 34.120 0.617 ( 0.000 0.000 34.120) 34.120 1.169 ( 0.000 0.000 64.887) 64.887 1.600 ( 0.000 0.000 -20.913) 20.913 1.600 ( -0.000 0.000 -20.913) 20.913 2.101 ( -0.000 0.000 4.710) 4.710 2.101 ( -0.000 0.000 4.710) 4.710 2.123 ( 0.000 -0.000 24.513) 24.513 2.177 ( -0.000 0.000 -4.968) 4.968 2.177 ( 0.000 0.000 -4.968) 4.968 2.320 ( -0.000 -0.000 3.761) 3.761 2.474 ( 0.000 0.000 0.801) 0.801 2.474 ( 0.000 -0.000 0.801) 0.801 2.516 ( 0.000 0.000 -0.291) 0.291 2.516 ( -0.000 -0.000 -0.291) 0.291 2.756 ( -0.000 0.000 1.391) 1.391 2.756 ( -0.000 -0.000 1.391) 1.391 2.770 ( 0.000 -0.000 -4.928) 4.928 2.860 ( 0.000 0.000 -3.556) 3.556 2.860 ( -0.000 0.000 -3.556) 3.556 2.883 ( 0.000 0.000 3.329) 3.329 2.945 ( -0.000 0.000 4.274) 4.274 2.987 ( 0.000 -0.000 -8.049) 8.049 3.012 ( 0.000 -0.000 4.868) 4.868 3.145 ( 0.000 -0.000 0.711) 0.711 3.210 ( 0.000 0.000 -0.093) 0.093 3.210 ( -0.000 0.000 -0.093) 0.093 3.222 ( 0.000 0.000 -0.765) 0.765 3.222 ( 0.000 -0.000 -0.765) 0.765 3.246 ( 0.000 -0.000 2.231) 2.231 3.246 ( 0.000 0.000 2.231) 2.231 3.251 ( 0.000 0.000 -17.516) 17.516 3.293 ( 0.000 0.000 -1.828) 1.828 3.293 ( 0.000 0.000 -1.828) 1.828 3.412 ( 0.000 -0.000 1.431) 1.431 3.412 ( 0.000 0.000 1.431) 1.431 3.466 ( -0.000 0.000 -3.447) 3.447 3.466 ( 0.000 0.000 -3.447) 3.447 3.466 ( 0.000 0.000 -5.151) 5.151 3.533 ( 0.000 0.000 -11.394) 11.394 3.564 ( 0.000 -0.000 1.732) 1.732 3.661 ( 0.000 0.000 0.909) 0.909 3.661 ( 0.000 0.000 0.909) 0.909 3.689 ( 0.000 0.000 -2.644) 2.644 3.689 ( 0.000 0.000 -2.644) 2.644 3.693 ( 0.000 -0.000 4.000) 4.000 3.723 ( 0.000 0.000 1.028) 1.028 3.723 ( 0.000 0.000 1.028) 1.028 3.741 ( 0.000 0.000 -14.862) 14.862 3.761 ( -0.000 0.000 21.289) 21.289 3.761 ( -0.000 -0.000 21.289) 21.289 3.898 ( 0.000 -0.000 -7.088) 7.088 3.919 ( -0.000 0.000 -3.935) 3.935 3.919 ( -0.000 0.000 -3.935) 3.935 3.980 ( 0.000 0.000 1.269) 1.269 4.081 ( 0.000 -0.000 -2.479) 2.479 4.101 ( 0.000 0.000 5.400) 5.400 4.101 ( -0.000 -0.000 5.400) 5.400 4.231 ( 0.000 -0.000 -7.547) 7.547 4.231 ( 0.000 0.000 -7.547) 7.547 4.301 ( 0.000 0.000 0.623) 0.623 4.386 ( 0.000 0.000 0.045) 0.045 4.386 ( 0.000 0.000 0.045) 0.045 4.449 ( 0.000 -0.000 -0.628) 0.628 4.449 ( -0.000 -0.000 -0.628) 0.628 4.487 ( 0.000 0.000 4.339) 4.339 4.604 ( 0.000 -0.000 11.553) 11.553 4.604 ( 0.000 -0.000 11.553) 11.553 4.621 ( -0.000 0.000 -16.158) 16.158 4.691 ( 0.000 -0.000 12.382) 12.382 4.764 ( -0.000 0.000 -9.448) 9.448 4.781 ( 0.000 0.000 -21.009) 21.009 4.781 ( -0.000 -0.000 -21.009) 21.009 4.845 ( 0.000 -0.000 -0.281) 0.281 4.845 ( -0.000 0.000 -0.281) 0.281 4.902 ( 0.000 -0.000 0.234) 0.234 5.042 ( 0.000 -0.000 0.451) 0.451 5.089 ( 0.000 0.000 -3.279) 3.279 5.117 ( 0.000 -0.000 2.972) 2.972 5.134 ( 0.000 0.000 -0.565) 0.565 5.182 ( 0.000 -0.000 8.206) 8.206 5.380 ( 0.000 0.000 8.091) 8.091 5.380 ( 0.000 0.000 8.091) 8.091 5.383 ( -0.000 0.000 0.655) 0.655 5.383 ( 0.000 0.000 0.655) 0.655 5.415 ( 0.000 0.000 -4.989) 4.989 5.440 ( 0.000 -0.000 -1.456) 1.456 5.440 ( 0.000 -0.000 -1.456) 1.456 5.503 ( 0.000 0.000 -3.123) 3.123 5.503 ( 0.000 0.000 -3.123) 3.123 5.712 ( 0.000 -0.000 -4.378) 4.378 5.712 ( 0.000 -0.000 -4.378) 4.378 5.752 ( 0.000 0.000 -0.479) 0.479 5.752 ( 0.000 -0.000 -0.479) 0.479 5.889 ( -0.000 -0.000 7.549) 7.549 5.914 ( 0.000 0.000 6.641) 6.641 5.994 ( 0.000 0.000 0.828) 0.828 5.994 ( 0.000 0.000 0.828) 0.828 6.011 ( -0.000 0.000 -0.178) 0.178 6.027 ( 0.000 0.000 -0.201) 0.201 6.027 ( 0.000 0.000 -0.201) 0.201 6.146 ( 0.000 0.000 -4.447) 4.447 6.196 ( 0.000 -0.000 4.699) 4.699 6.210 ( 0.000 0.000 5.301) 5.301 6.210 ( 0.000 0.000 5.301) 5.301 6.227 ( 0.000 0.000 1.230) 1.230 6.266 ( -0.000 -0.000 1.306) 1.306 6.266 ( -0.000 0.000 1.306) 1.306 6.314 ( -0.000 0.000 -2.648) 2.648 6.349 ( 0.000 -0.000 -2.294) 2.294 6.586 ( -0.000 0.000 2.418) 2.418 6.586 ( 0.000 0.000 2.418) 2.418 6.756 ( -0.000 0.000 -5.214) 5.214 6.756 ( 0.000 -0.000 -5.214) 5.214 6.782 ( -0.000 -0.000 2.413) 2.413 6.782 ( 0.000 0.000 2.413) 2.413 6.872 ( 0.000 0.000 0.033) 0.033 6.872 ( -0.000 0.000 0.033) 0.033 7.595 ( 0.000 -0.000 4.370) 4.370 7.595 ( 0.000 -0.000 4.370) 4.370 7.770 ( 0.000 0.000 -1.461) 1.461 7.851 ( 0.000 0.000 -5.251) 5.251 7.851 ( 0.000 0.000 -5.251) 5.251 7.916 ( 0.000 0.000 -5.444) 5.444 8.211 ( 0.000 0.000 11.166) 11.166 8.385 ( 0.000 0.000 2.554) 2.554 8.385 ( -0.000 0.000 2.554) 2.554 8.553 ( 0.000 0.000 -5.955) 5.955 8.610 ( 0.000 0.000 -9.051) 9.051 8.610 ( -0.000 0.000 -9.051) 9.051 8.648 ( 0.000 0.000 12.058) 12.058 8.896 ( 0.000 -0.000 -0.318) 0.318 8.896 ( -0.000 0.000 -0.318) 0.318 8.941 ( -0.000 0.000 -2.838) 2.838 8.941 ( 0.000 0.000 -2.838) 2.838 9.138 ( 0.000 0.000 4.555) 4.555 9.177 ( 0.000 0.000 -12.638) 12.638 9.386 ( 0.000 -0.000 -6.225) 6.225 9.431 ( 0.000 0.000 6.268) 6.268 9.431 ( 0.000 0.000 6.268) 6.268 9.455 ( 0.000 0.000 5.718) 5.718 9.455 ( 0.000 0.000 5.718) 5.718 10.302 ( 0.000 0.000 8.038) 8.038 10.416 ( 0.000 0.000 1.863) 1.863 10.416 ( -0.000 0.000 1.863) 1.863 10.456 ( 0.000 0.000 5.281) 5.281 10.570 ( 0.000 -0.000 -4.965) 4.965 10.570 ( 0.000 0.000 -4.965) 4.965 10.584 ( 0.000 0.000 -5.308) 5.308 10.633 ( -0.000 -0.000 -2.813) 2.813 12.464 ( 0.000 0.000 -4.514) 4.514 12.464 ( 0.000 -0.000 -4.514) 4.514 12.515 ( 0.000 0.000 -4.808) 4.808 12.515 ( 0.000 0.000 -4.808) 4.808 12.859 ( 0.000 0.000 1.984) 1.984 12.902 ( 0.000 0.000 15.168) 15.168 12.902 ( -0.000 0.000 15.168) 15.168 13.004 ( -0.000 0.000 -5.920) 5.920 13.233 ( 0.000 0.000 5.456) 5.456 13.336 ( 0.000 0.000 -5.905) 5.905 13.336 ( 0.000 -0.000 -5.905) 5.905 13.364 ( -0.000 0.000 -1.870) 1.870 14.115 ( -0.000 0.000 1.931) 1.931 14.115 ( -0.000 0.000 1.931) 1.931 14.147 ( 0.000 -0.000 5.219) 5.219 14.168 ( 0.000 -0.000 1.562) 1.562 14.168 ( -0.000 0.000 1.562) 1.562 14.379 ( 0.000 -0.000 -5.272) 5.272 14.396 ( 0.000 -0.000 2.030) 2.030 14.396 ( -0.000 0.000 2.030) 2.030 14.674 ( -0.000 0.000 -7.915) 7.915 14.674 ( 0.000 0.000 -7.915) 7.915 15.069 ( 0.000 0.000 1.618) 1.618 15.069 ( 0.000 0.000 1.618) 1.618 15.104 ( 0.000 0.000 -0.097) 0.097 15.104 ( 0.000 -0.000 -0.097) 0.097 15.187 ( 0.000 0.000 1.771) 1.771 15.199 ( 0.000 0.000 1.606) 1.606 15.271 ( 0.000 0.000 -1.702) 1.702 15.281 ( 0.000 0.000 -1.768) 1.768 15.344 ( -0.000 0.000 4.659) 4.659 15.344 ( 0.000 -0.000 4.659) 4.659 15.419 ( 0.000 0.000 2.894) 2.894 15.523 ( 0.000 0.000 -3.365) 3.365 15.523 ( 0.000 0.000 -3.365) 3.365 15.535 ( 0.000 0.000 -2.398) 2.398 19.825 ( 0.000 0.000 2.462) 2.462 19.825 ( 0.000 0.000 2.462) 2.462 19.942 ( 0.000 -0.000 -2.782) 2.782 19.942 ( -0.000 0.000 -2.782) 2.782 19.974 ( 0.000 -0.000 2.426) 2.426 20.085 ( 0.000 0.000 -2.584) 2.584 25.370 ( -0.000 0.000 2.169) 2.169 25.370 ( 0.000 -0.000 2.169) 2.169 25.470 ( -0.000 -0.000 -2.281) 2.281 25.470 ( -0.000 0.000 -2.281) 2.281 26.151 ( 0.000 -0.000 3.874) 3.874 26.330 ( -0.000 -0.000 -4.170) 4.170 27.161 ( 0.000 -0.000 0.205) 0.205 27.161 ( 0.000 -0.000 0.205) 0.205 27.183 ( -0.000 0.000 -0.900) 0.900 27.183 ( 0.000 0.000 -0.900) 0.900 27.384 ( -0.000 0.000 1.081) 1.081 27.384 ( 0.000 0.000 1.081) 1.081 27.403 ( 0.000 -0.000 0.079) 0.079 27.403 ( 0.000 0.000 0.079) 0.079 27.430 ( -0.000 -0.000 0.454) 0.454 27.430 ( 0.000 -0.000 0.454) 0.454 27.466 ( 0.000 0.000 -1.138) 1.138 27.466 ( 0.000 0.000 -1.138) 1.138 27.605 ( 0.000 0.000 2.672) 2.672 27.666 ( 0.000 -0.000 1.481) 1.481 27.666 ( 0.000 0.000 1.481) 1.481 27.727 ( 0.000 -0.000 -1.330) 1.330 27.727 ( 0.000 0.000 -1.330) 1.330 27.730 ( -0.000 0.000 -2.936) 2.936 27.888 ( 0.000 0.000 2.104) 2.104 27.888 ( 0.000 0.000 2.104) 2.104 27.933 ( 0.000 0.000 4.240) 4.240 27.989 ( 0.000 0.000 -2.666) 2.666 27.989 ( 0.000 0.000 -2.666) 2.666 28.109 ( 0.000 0.000 1.078) 1.078 28.109 ( 0.000 0.000 1.078) 1.078 28.132 ( 0.000 -0.000 -0.137) 0.137 28.132 ( 0.000 0.000 -0.137) 0.137 28.143 ( 0.000 0.000 -6.376) 6.376 28.381 ( 0.000 -0.000 6.871) 6.871 28.620 ( 0.000 0.000 -5.068) 5.068 29.788 ( -0.000 0.000 2.075) 2.075 29.921 ( 0.000 0.000 -4.769) 4.769 30.600 ( 0.000 0.000 11.137) 11.137 30.800 ( 0.000 -0.000 5.054) 5.054 30.999 ( 0.000 0.000 -7.685) 7.685 31.020 ( 0.000 0.000 -4.850) 4.850 ======================= Grid point 44 (9/21) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 14.558 8.405 27.315) 32.073 1.016 ( 27.703 15.994 20.681) 38.092 1.615 ( 34.991 20.202 37.879) 55.384 1.771 ( 14.014 8.091 -17.175) 23.597 1.805 ( 14.322 8.269 -19.272) 25.395 1.946 ( -5.218 -3.013 0.139) 6.027 2.105 ( 0.926 0.535 -4.070) 4.208 2.245 ( 10.411 6.011 2.780) 12.339 2.251 ( 4.871 2.812 -2.963) 6.357 2.386 ( 6.426 3.710 10.163) 12.583 2.415 ( 3.286 1.897 5.033) 6.303 2.481 ( 1.308 0.755 1.229) 1.947 2.505 ( 1.852 1.069 0.172) 2.145 2.525 ( 0.948 0.547 -0.239) 1.120 2.552 ( 5.737 3.312 1.474) 6.787 2.711 ( -3.647 -2.106 0.705) 4.270 2.760 ( 0.379 0.219 1.595) 1.654 2.784 ( 0.934 0.539 -1.624) 1.950 2.801 ( -2.841 -1.640 -0.224) 3.288 2.893 ( 2.367 1.366 -3.930) 4.787 2.903 ( 0.690 0.398 -0.885) 1.191 2.928 ( -2.317 -1.338 -6.826) 7.331 2.941 ( -2.721 -1.571 6.302) 7.042 2.965 ( -2.353 -1.359 0.466) 2.757 3.041 ( -8.564 -4.944 0.360) 9.895 3.100 ( -5.559 -3.209 2.553) 6.908 3.127 ( -5.444 -3.143 -1.322) 6.424 3.130 ( -4.038 -2.331 -0.526) 4.692 3.139 ( -3.637 -2.100 -3.599) 5.531 3.246 ( 1.223 0.706 -11.827) 11.911 3.281 ( -1.272 -0.734 3.398) 3.702 3.292 ( -1.185 -0.684 6.781) 6.918 3.326 ( 2.441 1.409 -2.259) 3.612 3.344 ( 1.701 0.982 -3.004) 3.589 3.389 ( -1.793 -1.035 -5.541) 5.915 3.426 ( 2.130 1.230 0.275) 2.474 3.436 ( 1.294 0.747 -2.977) 3.331 3.447 ( 1.626 0.939 -0.489) 1.940 3.488 ( 0.365 0.210 -2.524) 2.559 3.557 ( -0.384 -0.222 1.326) 1.398 3.561 ( 0.618 0.357 -2.378) 2.482 3.591 ( -1.863 -1.076 0.076) 2.153 3.643 ( -0.132 -0.076 2.843) 2.847 3.664 ( -0.614 -0.355 -0.353) 0.792 3.679 ( -0.560 -0.323 -1.276) 1.431 3.693 ( 0.977 0.564 -0.964) 1.484 3.735 ( 1.826 1.054 0.115) 2.111 3.738 ( 1.314 0.758 3.806) 4.097 3.812 ( -2.444 -1.411 -0.505) 2.867 3.835 ( 4.152 2.397 1.846) 5.138 3.837 ( -0.610 -0.352 1.437) 1.600 3.920 ( 2.374 1.371 0.931) 2.895 3.942 ( 5.430 3.135 7.605) 9.857 4.016 ( 8.911 5.145 -6.792) 12.329 4.031 ( 5.501 3.176 -1.562) 6.541 4.062 ( -2.721 -1.571 5.056) 5.953 4.103 ( 1.893 1.093 -2.368) 3.223 4.110 ( 0.509 0.294 4.518) 4.556 4.233 ( -0.942 -0.544 -3.023) 3.213 4.295 ( 1.895 1.094 -6.995) 7.329 4.317 ( 1.305 0.754 0.499) 1.588 4.334 ( -4.319 -2.493 2.151) 5.431 4.389 ( 2.205 1.273 -1.468) 2.940 4.400 ( -1.998 -1.154 0.553) 2.373 4.424 ( -2.146 -1.239 0.950) 2.654 4.432 ( -1.341 -0.774 0.403) 1.600 4.509 ( -6.206 -3.583 -12.512) 14.419 4.562 ( -3.479 -2.009 12.056) 12.708 4.613 ( -7.661 -4.423 -7.022) 11.295 4.652 ( -7.984 -4.609 6.864) 11.493 4.698 ( 0.839 0.484 4.651) 4.751 4.741 ( -6.204 -3.582 2.215) 7.498 4.759 ( 4.796 2.769 6.348) 8.424 4.819 ( 3.243 1.872 -14.179) 14.665 4.873 ( -7.564 -4.367 -4.585) 9.864 4.940 ( -2.056 -1.187 -0.093) 2.376 4.955 ( -1.612 -0.931 -0.906) 2.071 4.957 ( -2.255 -1.302 -4.944) 5.588 4.986 ( -7.215 -4.165 -2.806) 8.791 5.108 ( -2.053 -1.185 -1.474) 2.792 5.143 ( -3.112 -1.797 1.945) 4.086 5.237 ( -4.635 -2.676 -0.369) 5.364 5.269 ( -11.054 -6.382 -0.515) 12.775 5.314 ( -6.567 -3.792 -0.541) 7.603 5.390 ( -1.616 -0.933 -0.547) 1.944 5.416 ( 2.047 1.182 9.851) 10.130 5.458 ( -5.969 -3.446 3.571) 7.763 5.466 ( 0.738 0.426 0.714) 1.112 5.495 ( 3.172 1.832 2.426) 4.394 5.570 ( -4.297 -2.481 -5.578) 7.465 5.578 ( 4.635 2.676 -2.117) 5.756 5.668 ( -6.398 -3.694 2.308) 7.740 5.685 ( -5.592 -3.229 -1.256) 6.578 5.748 ( 1.745 1.008 -3.116) 3.711 5.834 ( -4.723 -2.727 1.897) 5.774 5.933 ( -3.408 -1.968 0.964) 4.052 5.940 ( 0.077 0.044 4.192) 4.193 6.000 ( -0.238 -0.137 -1.764) 1.785 6.038 ( 1.348 0.778 -0.993) 1.847 6.073 ( 3.078 1.777 4.291) 5.572 6.103 ( 3.323 1.919 3.955) 5.511 6.191 ( 0.552 0.319 3.152) 3.215 6.217 ( 0.214 0.124 0.289) 0.381 6.230 ( 1.959 1.131 2.482) 3.358 6.237 ( 1.821 1.051 2.433) 3.216 6.268 ( 3.188 1.840 2.782) 4.614 6.343 ( 4.931 2.847 3.445) 6.655 6.367 ( 3.568 2.060 -2.424) 4.780 6.405 ( 6.911 3.990 -3.866) 8.867 6.488 ( 8.817 5.091 -6.592) 12.129 6.571 ( -1.274 -0.735 1.345) 1.993 6.577 ( -0.671 -0.387 0.986) 1.254 6.711 ( -3.083 -1.780 -3.975) 5.336 6.735 ( -2.459 -1.419 -5.562) 6.245 6.815 ( 3.152 1.820 2.295) 4.302 6.816 ( 3.034 1.752 1.744) 3.914 6.861 ( -0.202 -0.117 1.050) 1.076 6.943 ( 4.862 2.807 -1.825) 5.903 7.289 ( -13.012 -7.512 9.058) 17.544 7.457 ( -6.606 -3.814 -3.010) 8.200 7.610 ( 1.335 0.771 3.325) 3.665 7.682 ( -7.835 -4.523 5.385) 10.528 7.822 ( -2.622 -1.514 -4.406) 5.346 8.219 ( -6.859 -3.960 -19.609) 21.148 8.279 ( 5.715 3.299 12.189) 13.861 8.289 ( -5.336 -3.081 4.707) 7.753 8.484 ( 5.037 2.908 3.295) 6.685 8.565 ( -2.575 -1.487 -7.683) 8.238 8.658 ( -1.724 -0.995 7.037) 7.313 8.735 ( 5.730 3.308 1.900) 6.884 8.814 ( 13.067 7.544 -17.283) 22.942 8.889 ( 1.562 0.902 -3.280) 3.743 8.893 ( 1.237 0.714 -1.683) 2.207 8.992 ( 4.543 2.623 -5.040) 7.275 9.003 ( 4.194 2.421 -2.410) 5.409 9.130 ( 0.376 0.217 -2.019) 2.065 9.191 ( 0.290 0.168 -12.498) 12.503 9.286 ( -5.435 -3.138 -6.262) 8.866 9.465 ( 2.173 1.254 7.177) 7.603 9.465 ( 1.282 0.740 5.809) 5.995 9.499 ( 2.315 1.336 5.707) 6.302 9.535 ( 5.612 3.240 5.271) 8.353 10.215 ( -7.218 -4.168 5.742) 10.122 10.221 ( -12.361 -7.137 4.882) 15.085 10.435 ( -7.575 -4.374 -1.155) 8.823 10.460 ( -3.547 -2.048 -4.299) 5.937 10.531 ( 4.303 2.484 0.338) 4.980 10.541 ( 3.900 2.252 -2.659) 5.230 10.639 ( 1.848 1.067 -3.340) 3.964 10.721 ( 7.148 4.127 -4.895) 9.596 12.433 ( -2.635 -1.521 -2.306) 3.818 12.457 ( -0.378 -0.219 -3.939) 3.963 12.518 ( -0.230 -0.133 -5.193) 5.200 12.525 ( 0.640 0.370 -4.926) 4.981 12.766 ( -3.931 -2.269 3.522) 5.745 12.890 ( -1.337 -0.772 15.164) 15.243 12.958 ( -2.902 -1.675 -4.442) 5.564 13.001 ( 4.760 2.748 12.462) 13.621 13.054 ( -9.026 -5.211 12.328) 16.143 13.334 ( -0.937 -0.541 -5.638) 5.741 13.367 ( 1.294 0.747 -4.612) 4.848 13.402 ( 3.670 2.119 -4.079) 5.883 14.086 ( -0.928 -0.536 4.147) 4.283 14.129 ( -0.419 -0.242 2.129) 2.183 14.180 ( 1.251 0.722 2.208) 2.638 14.181 ( 2.018 1.165 1.893) 3.002 14.211 ( 2.733 1.578 2.842) 4.247 14.287 ( -4.046 -2.336 0.889) 4.756 14.306 ( -6.042 -3.488 4.362) 8.228 14.445 ( 1.237 0.714 -3.869) 4.124 14.622 ( -4.068 -2.349 -9.639) 10.722 14.632 ( -10.327 -5.962 17.702) 21.343 14.672 ( -3.648 -2.106 2.257) 4.779 15.035 ( -1.663 -0.960 2.032) 2.796 15.084 ( 0.873 0.504 1.992) 2.233 15.099 ( -0.046 -0.027 1.384) 1.385 15.174 ( -1.124 -0.649 4.016) 4.220 15.244 ( 1.189 0.687 -3.207) 3.488 15.280 ( 1.021 0.590 -2.151) 2.453 15.287 ( -1.361 -0.786 1.333) 2.061 15.341 ( 1.063 0.614 1.260) 1.759 15.419 ( 1.711 0.988 2.286) 3.021 15.431 ( -1.684 -0.972 -0.587) 2.031 15.449 ( 2.362 1.364 3.259) 4.250 15.556 ( 2.755 1.590 -2.587) 4.100 15.611 ( 2.710 1.564 -3.408) 4.626 19.749 ( -5.023 -2.900 2.777) 6.431 19.845 ( 1.672 0.965 2.159) 2.896 19.929 ( -1.140 -0.658 -7.238) 7.357 19.951 ( 0.642 0.371 -2.304) 2.420 19.997 ( 1.048 0.605 1.752) 2.130 20.097 ( 0.422 0.243 -2.553) 2.599 25.334 ( -2.756 -1.591 3.016) 4.384 25.382 ( -0.075 -0.043 2.023) 2.025 25.475 ( 1.372 0.792 -2.826) 3.240 25.490 ( 1.123 0.648 -2.117) 2.483 25.764 ( -11.103 -6.410 17.590) 21.766 26.146 ( -11.864 -6.850 -5.358) 14.709 27.163 ( 0.257 0.148 1.062) 1.102 27.195 ( 1.932 1.115 -0.245) 2.244 27.227 ( 3.112 1.797 -0.938) 3.714 27.242 ( 2.420 1.397 -2.504) 3.752 27.337 ( -3.666 -2.116 1.690) 4.558 27.363 ( -0.868 -0.501 1.966) 2.206 27.364 ( -1.253 -0.723 1.135) 1.839 27.417 ( 1.135 0.656 -0.067) 1.313 27.421 ( -2.675 -1.544 0.522) 3.133 27.490 ( 3.161 1.825 -1.394) 3.907 27.582 ( 0.818 0.472 -0.339) 1.003 27.596 ( 8.254 4.766 -1.996) 9.738 27.615 ( 1.622 0.936 0.560) 1.955 27.674 ( -3.400 -1.963 -0.068) 3.926 27.736 ( 3.701 2.137 0.449) 4.297 27.755 ( 1.067 0.616 -0.818) 1.479 27.770 ( 8.454 4.881 0.772) 9.792 27.806 ( 5.038 2.908 0.551) 5.843 27.886 ( -5.087 -2.937 2.630) 6.436 27.899 ( 2.914 1.682 1.013) 3.513 27.922 ( 2.351 1.357 1.924) 3.327 27.996 ( 3.353 1.936 0.175) 3.876 28.032 ( 3.519 2.032 -1.868) 4.472 28.094 ( 0.013 0.008 -2.090) 2.090 28.126 ( 1.471 0.849 1.378) 2.187 28.142 ( 0.845 0.488 -0.022) 0.976 28.164 ( 2.849 1.645 0.408) 3.315 28.175 ( 1.204 0.695 -1.127) 1.789 28.356 ( -2.176 -1.256 6.226) 6.714 28.583 ( -3.107 -1.794 -4.961) 6.123 29.910 ( -0.475 -0.274 -2.262) 2.327 30.154 ( 15.533 8.968 -21.642) 28.108 30.513 ( -6.903 -3.986 11.768) 14.214 30.733 ( -5.647 -3.260 5.538) 8.555 30.931 ( -5.430 -3.135 -8.201) 10.323 30.974 ( -3.863 -2.230 -5.301) 6.928 ======================= Grid point 45 (10/21) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 17.366 10.026 7.425) 21.383 1.667 ( 27.114 15.654 11.426) 33.328 1.919 ( 3.588 2.072 -12.249) 12.931 2.038 ( -0.865 -0.499 -12.106) 12.147 2.076 ( 6.118 3.532 -22.589) 23.668 2.178 ( 11.408 6.586 -10.613) 16.916 2.344 ( 4.166 2.405 -2.348) 5.353 2.388 ( -3.551 -2.050 -0.021) 4.100 2.417 ( 1.769 1.021 2.994) 3.625 2.427 ( 2.997 1.730 0.672) 3.526 2.435 ( 16.696 9.640 5.448) 20.034 2.481 ( -3.740 -2.159 0.045) 4.319 2.567 ( 15.543 8.974 7.759) 19.553 2.570 ( 0.257 0.148 2.460) 2.478 2.623 ( -0.449 -0.259 2.105) 2.168 2.701 ( 2.246 1.297 2.622) 3.687 2.746 ( -1.666 -0.962 -2.055) 2.815 2.754 ( -3.490 -2.015 1.267) 4.224 2.779 ( -0.312 -0.180 1.809) 1.845 2.830 ( -8.615 -4.974 2.411) 10.236 2.842 ( -2.952 -1.704 -0.670) 3.474 2.876 ( -3.005 -1.735 -2.548) 4.305 2.877 ( -5.316 -3.069 2.364) 6.578 2.888 ( -1.138 -0.657 1.510) 2.002 2.926 ( 0.996 0.575 -3.585) 3.765 2.970 ( -3.762 -2.172 3.646) 5.671 3.037 ( -3.986 -2.301 8.267) 9.462 3.125 ( 6.548 3.781 -3.393) 8.288 3.143 ( -4.066 -2.347 9.577) 10.666 3.280 ( 1.754 1.013 -5.351) 5.722 3.293 ( 9.433 5.446 3.405) 11.412 3.357 ( 5.864 3.385 -2.617) 7.259 3.384 ( 3.368 1.944 0.386) 3.908 3.408 ( 4.312 2.490 -4.086) 6.441 3.439 ( 2.949 1.702 -5.404) 6.387 3.474 ( 1.142 0.659 -4.027) 4.238 3.484 ( 0.757 0.437 -3.236) 3.352 3.496 ( 0.964 0.557 -0.383) 1.178 3.515 ( 4.671 2.697 -0.728) 5.443 3.564 ( 1.432 0.827 0.859) 1.863 3.566 ( -0.841 -0.486 -3.409) 3.544 3.599 ( 4.569 2.638 0.069) 5.277 3.626 ( -1.321 -0.763 0.389) 1.574 3.658 ( -0.359 -0.207 0.415) 0.587 3.676 ( 1.262 0.728 1.084) 1.816 3.713 ( 0.361 0.209 -1.140) 1.214 3.757 ( 1.506 0.869 -2.081) 2.712 3.766 ( -0.561 -0.324 -4.243) 4.293 3.786 ( 2.355 1.360 2.471) 3.674 3.813 ( 1.842 1.063 3.105) 3.764 3.925 ( 2.868 1.656 12.713) 13.137 3.956 ( -3.648 -2.106 3.761) 5.647 3.997 ( 4.390 2.534 1.626) 5.323 4.066 ( 1.370 0.791 3.512) 3.852 4.073 ( -2.852 -1.646 0.699) 3.366 4.122 ( -6.961 -4.019 -2.638) 8.460 4.158 ( 2.390 1.380 -1.892) 3.346 4.183 ( 5.769 3.331 -3.827) 7.683 4.222 ( -5.469 -3.158 -1.786) 6.563 4.254 ( -0.130 -0.075 6.348) 6.349 4.265 ( 2.986 1.724 -5.241) 6.274 4.323 ( -5.182 -2.992 0.718) 6.027 4.342 ( -3.759 -2.170 -1.702) 4.662 4.368 ( -1.522 -0.879 1.756) 2.485 4.391 ( -0.450 -0.260 1.915) 1.984 4.434 ( -2.017 -1.164 -3.507) 4.210 4.440 ( -2.194 -1.266 1.157) 2.785 4.504 ( -2.891 -1.669 2.154) 3.973 4.521 ( 1.492 0.862 -5.969) 6.212 4.537 ( 3.350 1.934 -0.177) 3.872 4.544 ( -8.600 -4.965 5.646) 11.423 4.680 ( -5.087 -2.937 2.383) 6.339 4.699 ( -3.026 -1.747 -2.020) 4.036 4.783 ( -3.452 -1.993 0.693) 4.046 4.797 ( -5.138 -2.966 -1.463) 6.111 4.833 ( -0.556 -0.321 0.395) 0.754 4.884 ( 0.502 0.290 -9.130) 9.148 4.904 ( -8.413 -4.857 -4.332) 10.636 4.965 ( -7.434 -4.292 -7.326) 11.285 4.984 ( -4.823 -2.784 -5.674) 7.950 5.029 ( -0.309 -0.179 -0.655) 0.746 5.060 ( -1.964 -1.134 10.658) 10.897 5.187 ( -2.379 -1.373 -0.786) 2.857 5.215 ( -4.385 -2.531 3.538) 6.177 5.333 ( -5.626 -3.248 2.521) 6.969 5.362 ( -3.246 -1.874 8.264) 9.074 5.416 ( -2.176 -1.256 1.568) 2.961 5.449 ( 1.342 0.775 8.412) 8.553 5.464 ( -0.183 -0.106 2.020) 2.031 5.547 ( -8.605 -4.968 0.463) 9.947 5.575 ( -0.064 -0.037 -0.786) 0.789 5.582 ( -1.870 -1.080 1.573) 2.671 5.654 ( -1.399 -0.808 1.885) 2.483 5.690 ( 3.665 2.116 -3.509) 5.497 5.806 ( 1.182 0.683 -8.628) 8.735 5.862 ( -2.155 -1.244 -0.105) 2.491 5.904 ( -3.311 -1.911 3.441) 5.144 5.961 ( -3.040 -1.755 -3.283) 4.806 6.083 ( 2.768 1.598 0.821) 3.300 6.122 ( 0.216 0.125 9.945) 9.948 6.147 ( 2.051 1.184 0.762) 2.488 6.216 ( -0.296 -0.171 0.521) 0.623 6.229 ( -1.669 -0.964 0.214) 1.939 6.237 ( 2.765 1.596 3.166) 4.496 6.296 ( 2.650 1.530 4.448) 5.399 6.331 ( 2.335 1.348 2.564) 3.721 6.387 ( -3.109 -1.795 0.258) 3.599 6.421 ( 0.852 0.492 3.482) 3.618 6.494 ( 1.918 1.107 -2.541) 3.370 6.570 ( 0.555 0.321 -2.178) 2.270 6.599 ( 2.720 1.571 -2.987) 4.334 6.632 ( 4.580 2.644 -9.270) 10.672 6.649 ( -4.258 -2.459 -4.132) 6.423 6.664 ( -1.008 -0.582 -1.962) 2.282 6.848 ( 1.918 1.107 4.284) 4.823 6.907 ( 4.340 2.506 0.931) 5.097 6.941 ( 4.631 2.674 1.325) 5.510 7.011 ( 0.648 0.374 -1.020) 1.265 7.118 ( -4.300 -2.482 4.353) 6.603 7.405 ( 1.246 0.719 -6.358) 6.519 7.518 ( -5.241 -3.026 3.956) 7.230 7.659 ( 2.954 1.706 0.052) 3.412 7.750 ( -3.022 -1.745 -2.425) 4.249 8.030 ( -8.163 -4.713 -17.022) 19.458 8.236 ( 1.321 0.763 6.951) 7.116 8.394 ( 3.300 1.905 15.836) 16.288 8.491 ( -1.317 -0.760 -0.057) 1.521 8.532 ( -8.197 -4.733 8.878) 12.977 8.597 ( 3.172 1.831 -2.101) 4.222 8.807 ( 1.348 0.779 10.757) 10.870 8.876 ( 0.576 0.333 -6.663) 6.696 8.979 ( 5.404 3.120 -4.699) 7.811 9.024 ( 5.011 2.893 -13.642) 14.818 9.089 ( 3.139 1.812 -0.239) 3.632 9.096 ( 2.948 1.702 0.892) 3.518 9.121 ( -4.267 -2.464 -12.789) 13.705 9.177 ( 2.904 1.677 -10.255) 10.789 9.228 ( -0.423 -0.244 -10.022) 10.034 9.409 ( -6.560 -3.787 6.572) 10.028 9.497 ( 1.948 1.124 5.503) 5.945 9.587 ( 4.445 2.566 7.807) 9.343 9.660 ( 4.456 2.573 4.632) 6.923 9.928 ( -15.998 -9.236 2.753) 18.677 9.981 ( -7.493 -4.326 2.330) 8.960 10.305 ( -2.920 -1.686 2.487) 4.190 10.402 ( -1.640 -0.947 -2.424) 3.076 10.590 ( 0.841 0.485 -2.772) 2.937 10.610 ( 1.908 1.102 -7.583) 7.897 10.738 ( 5.071 2.928 0.624) 5.888 10.875 ( 5.542 3.199 -4.634) 7.900 12.360 ( -3.094 -1.786 1.599) 3.914 12.452 ( -0.038 -0.022 -3.391) 3.392 12.498 ( -1.233 -0.712 -4.631) 4.845 12.538 ( 0.460 0.266 -4.613) 4.643 12.711 ( -1.128 -0.651 -0.987) 1.634 12.834 ( -2.676 -1.545 14.286) 14.616 12.920 ( -0.629 -0.363 -0.772) 1.060 12.931 ( -2.458 -1.419 7.022) 7.574 13.092 ( 3.028 1.748 13.719) 14.157 13.308 ( -0.999 -0.577 -7.512) 7.600 13.413 ( 2.213 1.278 -6.519) 7.002 13.475 ( 2.499 1.443 -0.576) 2.943 14.068 ( -3.850 -2.223 4.815) 6.553 14.073 ( -0.564 -0.326 5.842) 5.878 14.174 ( -1.718 -0.992 4.979) 5.360 14.206 ( -0.292 -0.169 4.750) 4.762 14.207 ( 0.462 0.267 3.928) 3.964 14.292 ( 4.110 2.373 -1.995) 5.148 14.316 ( 3.317 1.915 -2.655) 4.660 14.444 ( -1.396 -0.806 -3.967) 4.282 14.487 ( -3.761 -2.171 17.797) 18.319 14.530 ( -3.183 -1.838 -12.654) 13.177 14.645 ( -0.673 -0.389 -6.974) 7.017 15.040 ( 1.562 0.902 4.477) 4.826 15.105 ( 0.358 0.207 2.600) 2.632 15.106 ( 0.775 0.447 2.297) 2.465 15.145 ( -1.137 -0.657 4.450) 4.640 15.213 ( -2.674 -1.544 -2.322) 3.863 15.275 ( 0.146 0.084 -1.715) 1.723 15.289 ( -0.152 -0.088 -1.496) 1.506 15.350 ( -0.338 -0.195 -1.733) 1.777 15.364 ( -1.536 -0.887 -0.790) 1.942 15.510 ( 2.603 1.503 1.909) 3.561 15.522 ( 4.237 2.446 1.750) 5.196 15.617 ( 1.889 1.091 -1.819) 2.840 15.648 ( 0.419 0.242 -3.405) 3.439 19.648 ( -3.275 -1.891 3.866) 5.408 19.888 ( 1.301 0.751 0.148) 1.509 19.904 ( -0.381 -0.220 -6.625) 6.640 19.967 ( 0.661 0.382 -0.282) 0.814 20.008 ( 0.047 0.027 -0.332) 0.336 20.097 ( -0.299 -0.173 -3.035) 3.055 25.273 ( -2.164 -1.250 3.524) 4.320 25.343 ( -2.510 -1.449 0.788) 3.003 25.502 ( 0.045 0.026 0.009) 0.052 25.551 ( 4.558 2.632 -3.234) 6.177 25.661 ( -0.866 -0.500 7.299) 7.367 25.914 ( -7.919 -4.572 -4.456) 10.171 27.175 ( 1.005 0.580 2.044) 2.350 27.231 ( -2.088 -1.205 0.116) 2.414 27.276 ( 2.914 1.682 -0.222) 3.372 27.285 ( -1.373 -0.793 -0.987) 1.868 27.305 ( 2.617 1.511 -1.142) 3.230 27.330 ( 2.000 1.155 -1.012) 2.521 27.378 ( 1.630 0.941 3.061) 3.593 27.393 ( -0.049 -0.028 4.784) 4.784 27.439 ( 0.718 0.414 0.148) 0.842 27.505 ( -1.909 -1.102 2.680) 3.470 27.559 ( -4.965 -2.866 0.570) 5.761 27.585 ( -0.529 -0.305 -2.301) 2.380 27.639 ( -1.020 -0.589 -0.260) 1.206 27.722 ( -1.841 -1.063 3.808) 4.361 27.738 ( 0.074 0.043 -3.574) 3.575 27.807 ( 7.169 4.139 -3.000) 8.805 27.834 ( 0.180 0.104 3.116) 3.123 27.911 ( 3.421 1.975 0.998) 4.074 27.933 ( 4.853 2.802 -1.200) 5.731 27.976 ( 1.460 0.843 0.307) 1.714 27.992 ( 2.497 1.441 -0.280) 2.896 28.068 ( 2.682 1.548 -3.464) 4.646 28.115 ( 3.652 2.108 -0.699) 4.274 28.131 ( 2.886 1.666 -0.743) 3.414 28.166 ( 1.207 0.697 0.944) 1.683 28.171 ( 2.080 1.201 1.034) 2.615 28.202 ( 1.590 0.918 0.064) 1.837 28.245 ( 3.357 1.938 -1.229) 4.066 28.297 ( -2.717 -1.569 4.601) 5.569 28.495 ( -4.088 -2.360 -4.713) 6.670 29.930 ( 2.562 1.479 5.916) 6.614 30.342 ( -6.903 -3.985 11.421) 13.928 30.411 ( 8.992 5.191 -16.099) 19.157 30.570 ( -7.693 -4.442 6.882) 11.237 30.778 ( -7.528 -4.346 -9.193) 12.652 30.866 ( -4.882 -2.819 -6.457) 8.572 ======================= Grid point 46 (11/21) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 0.000 -9.382) 9.382 1.908 ( 0.000 0.000 -3.638) 3.638 2.011 ( 0.000 0.000 -20.899) 20.899 2.026 ( -0.000 -0.000 -19.246) 19.246 2.213 ( -0.000 -0.000 4.678) 4.678 2.290 ( 0.000 0.000 5.800) 5.800 2.319 ( 0.000 0.000 -3.890) 3.890 2.379 ( -0.000 -0.000 2.373) 2.373 2.396 ( 0.000 0.000 -2.503) 2.503 2.433 ( 0.000 0.000 -0.383) 0.383 2.439 ( 0.000 0.000 -4.176) 4.176 2.518 ( 0.000 0.000 -1.186) 1.186 2.570 ( -0.000 -0.000 -4.619) 4.619 2.608 ( 0.000 0.000 -5.251) 5.251 2.680 ( 0.000 0.000 0.744) 0.744 2.690 ( 0.000 0.000 1.136) 1.136 2.696 ( 0.000 0.000 2.143) 2.143 2.727 ( 0.000 0.000 2.234) 2.234 2.760 ( 0.000 0.000 -1.826) 1.826 2.774 ( 0.000 0.000 -1.674) 1.674 2.805 ( 0.000 0.000 0.321) 0.321 2.833 ( 0.000 0.000 0.840) 0.840 2.886 ( 0.000 0.000 0.311) 0.311 2.899 ( 0.000 0.000 5.303) 5.303 2.970 ( 0.000 0.000 -7.871) 7.871 2.991 ( 0.000 0.000 5.825) 5.825 3.042 ( 0.000 0.000 11.864) 11.864 3.131 ( 0.000 0.000 9.219) 9.219 3.195 ( 0.000 0.000 0.244) 0.244 3.335 ( 0.000 0.000 -4.826) 4.826 3.383 ( 0.000 0.000 -0.270) 0.270 3.432 ( 0.000 0.000 0.890) 0.890 3.442 ( -0.000 -0.000 -1.553) 1.553 3.447 ( 0.000 0.000 3.360) 3.360 3.478 ( 0.000 0.000 0.786) 0.786 3.487 ( 0.000 0.000 -0.648) 0.648 3.503 ( 0.000 0.000 1.652) 1.652 3.542 ( 0.000 0.000 0.120) 0.120 3.567 ( 0.000 0.000 -2.444) 2.444 3.575 ( -0.000 -0.000 -6.207) 6.207 3.588 ( 0.000 0.000 -0.601) 0.601 3.625 ( 0.000 0.000 3.392) 3.392 3.650 ( 0.000 0.000 0.659) 0.659 3.670 ( 0.000 0.000 -2.900) 2.900 3.700 ( 0.000 0.000 3.264) 3.264 3.752 ( 0.000 0.000 -4.036) 4.036 3.765 ( 0.000 0.000 -2.924) 2.924 3.792 ( 0.000 0.000 -1.458) 1.458 3.862 ( 0.000 0.000 1.986) 1.986 3.904 ( 0.000 0.000 0.711) 0.711 3.905 ( 0.000 0.000 2.111) 2.111 3.918 ( -0.000 -0.000 5.901) 5.901 4.009 ( -0.000 -0.000 4.976) 4.976 4.014 ( 0.000 0.000 4.542) 4.542 4.055 ( 0.000 0.000 10.130) 10.130 4.093 ( 0.000 0.000 5.264) 5.264 4.099 ( -0.000 -0.000 -0.909) 0.909 4.168 ( 0.000 0.000 -0.383) 0.383 4.219 ( 0.000 0.000 2.506) 2.506 4.223 ( -0.000 -0.000 -10.058) 10.058 4.242 ( 0.000 0.000 2.512) 2.512 4.246 ( -0.000 -0.000 -4.796) 4.796 4.273 ( 0.000 0.000 -0.377) 0.377 4.291 ( 0.000 0.000 -5.436) 5.436 4.380 ( 0.000 0.000 5.722) 5.722 4.412 ( -0.000 -0.000 -0.706) 0.706 4.440 ( 0.000 0.000 -1.138) 1.138 4.468 ( 0.000 0.000 -4.248) 4.248 4.481 ( 0.000 0.000 0.451) 0.451 4.583 ( 0.000 0.000 4.934) 4.934 4.603 ( 0.000 0.000 0.025) 0.025 4.610 ( -0.000 -0.000 4.691) 4.691 4.646 ( 0.000 0.000 -7.974) 7.974 4.736 ( 0.000 0.000 -0.883) 0.883 4.781 ( 0.000 0.000 -3.949) 3.949 4.804 ( -0.000 -0.000 -1.310) 1.310 4.804 ( 0.000 0.000 -5.846) 5.846 4.839 ( 0.000 0.000 -3.804) 3.804 4.900 ( 0.000 0.000 -5.519) 5.519 4.924 ( 0.000 0.000 -10.383) 10.383 5.040 ( 0.000 0.000 2.996) 2.996 5.061 ( 0.000 0.000 11.011) 11.011 5.091 ( 0.000 0.000 2.599) 2.599 5.221 ( 0.000 0.000 9.865) 9.865 5.240 ( 0.000 0.000 1.624) 1.624 5.277 ( 0.000 0.000 -1.998) 1.998 5.375 ( 0.000 0.000 11.134) 11.134 5.409 ( 0.000 0.000 0.163) 0.163 5.441 ( 0.000 0.000 10.383) 10.383 5.512 ( -0.000 -0.000 1.174) 1.174 5.546 ( 0.000 0.000 2.121) 2.121 5.565 ( 0.000 0.000 -0.674) 0.674 5.714 ( 0.000 0.000 -1.622) 1.622 5.735 ( 0.000 0.000 -3.903) 3.903 5.808 ( 0.000 0.000 -7.968) 7.968 5.839 ( -0.000 -0.000 -2.177) 2.177 5.851 ( 0.000 0.000 3.966) 3.966 5.915 ( 0.000 0.000 -4.359) 4.359 6.113 ( 0.000 0.000 9.123) 9.123 6.136 ( -0.000 -0.000 2.615) 2.615 6.189 ( 0.000 0.000 2.407) 2.407 6.190 ( 0.000 0.000 -1.114) 1.114 6.194 ( 0.000 0.000 -0.444) 0.444 6.286 ( 0.000 0.000 6.311) 6.311 6.309 ( 0.000 0.000 -0.653) 0.653 6.352 ( 0.000 0.000 7.166) 7.166 6.361 ( 0.000 0.000 -0.007) 0.007 6.415 ( 0.000 0.000 1.037) 1.037 6.529 ( 0.000 0.000 -6.127) 6.127 6.580 ( 0.000 0.000 -4.533) 4.533 6.593 ( 0.000 0.000 0.911) 0.911 6.626 ( 0.000 0.000 -1.276) 1.276 6.657 ( 0.000 0.000 -3.208) 3.208 6.660 ( 0.000 0.000 -5.431) 5.431 6.902 ( 0.000 0.000 0.475) 0.475 6.977 ( 0.000 0.000 -0.827) 0.827 6.999 ( 0.000 0.000 1.902) 1.902 7.005 ( 0.000 0.000 -1.971) 1.971 7.059 ( 0.000 0.000 7.873) 7.873 7.438 ( -0.000 -0.000 -12.527) 12.527 7.454 ( 0.000 0.000 6.533) 6.533 7.712 ( 0.000 0.000 -1.114) 1.114 7.715 ( 0.000 0.000 -3.275) 3.275 7.910 ( 0.000 0.000 -14.774) 14.774 8.335 ( 0.000 0.000 8.965) 8.965 8.350 ( -0.000 -0.000 8.196) 8.196 8.416 ( 0.000 0.000 12.105) 12.105 8.493 ( 0.000 0.000 7.334) 7.334 8.641 ( 0.000 0.000 -2.594) 2.594 8.823 ( 0.000 0.000 12.214) 12.214 8.879 ( 0.000 0.000 -5.507) 5.507 9.028 ( 0.000 0.000 -11.602) 11.602 9.076 ( 0.000 0.000 -4.724) 4.724 9.081 ( 0.000 0.000 -7.672) 7.672 9.158 ( 0.000 0.000 -7.788) 7.788 9.168 ( -0.000 -0.000 -6.301) 6.301 9.212 ( 0.000 0.000 -7.976) 7.976 9.226 ( -0.000 -0.000 -10.830) 10.830 9.270 ( 0.000 0.000 6.640) 6.640 9.595 ( 0.000 0.000 -4.932) 4.932 9.611 ( -0.000 -0.000 12.255) 12.255 9.648 ( 0.000 0.000 8.375) 8.375 9.731 ( 0.000 0.000 6.034) 6.034 9.894 ( 0.000 0.000 3.063) 3.063 10.274 ( 0.000 0.000 3.874) 3.874 10.384 ( 0.000 0.000 -1.650) 1.650 10.598 ( 0.000 0.000 -3.218) 3.218 10.630 ( 0.000 0.000 -8.415) 8.415 10.802 ( 0.000 0.000 1.001) 1.001 10.942 ( 0.000 0.000 -4.684) 4.684 12.321 ( 0.000 0.000 3.024) 3.024 12.452 ( 0.000 0.000 -3.140) 3.140 12.480 ( 0.000 0.000 -4.330) 4.330 12.543 ( 0.000 0.000 -4.435) 4.435 12.700 ( 0.000 0.000 -2.871) 2.871 12.802 ( 0.000 0.000 14.524) 14.524 12.903 ( 0.000 0.000 -8.679) 8.679 12.918 ( 0.000 0.000 13.081) 13.081 13.129 ( 0.000 0.000 14.282) 14.282 13.296 ( 0.000 0.000 -8.517) 8.517 13.443 ( 0.000 0.000 -7.229) 7.229 13.505 ( 0.000 0.000 0.840) 0.840 14.015 ( 0.000 0.000 6.473) 6.473 14.063 ( 0.000 0.000 7.033) 7.033 14.163 ( 0.000 0.000 2.347) 2.347 14.204 ( 0.000 0.000 4.557) 4.557 14.209 ( 0.000 0.000 3.935) 3.935 14.369 ( 0.000 0.000 -7.014) 7.014 14.382 ( -0.000 -0.000 -2.658) 2.658 14.389 ( 0.000 0.000 -2.583) 2.583 14.433 ( 0.000 0.000 18.330) 18.330 14.494 ( 0.000 0.000 -14.452) 14.452 14.638 ( 0.000 0.000 -6.473) 6.473 15.073 ( 0.000 0.000 8.784) 8.784 15.107 ( 0.000 0.000 -3.209) 3.209 15.109 ( 0.000 0.000 2.991) 2.991 15.130 ( 0.000 0.000 4.858) 4.858 15.178 ( 0.000 0.000 1.336) 1.336 15.275 ( 0.000 0.000 -3.934) 3.934 15.290 ( 0.000 0.000 -1.327) 1.327 15.343 ( 0.000 0.000 -2.448) 2.448 15.344 ( 0.000 0.000 0.200) 0.200 15.545 ( 0.000 0.000 0.778) 0.778 15.584 ( 0.000 0.000 0.234) 0.234 15.635 ( 0.000 0.000 -1.594) 1.594 15.641 ( 0.000 0.000 -3.099) 3.099 19.611 ( 0.000 0.000 4.534) 4.534 19.886 ( 0.000 0.000 -7.399) 7.399 19.919 ( 0.000 0.000 0.775) 0.775 19.976 ( 0.000 0.000 1.974) 1.974 20.007 ( 0.000 0.000 -2.533) 2.533 20.091 ( 0.000 0.000 -3.346) 3.346 25.247 ( 0.000 0.000 3.432) 3.432 25.308 ( 0.000 0.000 0.604) 0.604 25.501 ( 0.000 0.000 1.091) 1.091 25.626 ( 0.000 0.000 -4.710) 4.710 25.657 ( 0.000 0.000 4.191) 4.191 25.808 ( 0.000 0.000 -2.707) 2.707 27.201 ( 0.000 0.000 0.926) 0.926 27.212 ( -0.000 -0.000 2.271) 2.271 27.224 ( 0.000 0.000 -0.177) 0.177 27.297 ( 0.000 0.000 -2.332) 2.332 27.381 ( 0.000 0.000 4.248) 4.248 27.409 ( 0.000 0.000 1.870) 1.870 27.414 ( 0.000 0.000 0.599) 0.599 27.424 ( 0.000 0.000 -0.342) 0.342 27.445 ( -0.000 -0.000 -0.079) 0.079 27.447 ( -0.000 -0.000 1.391) 1.391 27.462 ( -0.000 -0.000 1.503) 1.503 27.517 ( 0.000 0.000 3.005) 3.005 27.625 ( 0.000 0.000 -1.643) 1.643 27.729 ( 0.000 0.000 6.091) 6.091 27.731 ( 0.000 0.000 -4.197) 4.197 27.828 ( 0.000 0.000 -1.415) 1.415 27.939 ( 0.000 0.000 -4.880) 4.880 27.958 ( 0.000 0.000 1.437) 1.437 27.981 ( -0.000 -0.000 -2.528) 2.528 27.987 ( 0.000 0.000 1.284) 1.284 27.992 ( 0.000 0.000 -0.622) 0.622 28.101 ( 0.000 0.000 -4.358) 4.358 28.166 ( 0.000 0.000 0.175) 0.175 28.171 ( 0.000 0.000 -1.042) 1.042 28.188 ( 0.000 0.000 2.431) 2.431 28.191 ( 0.000 0.000 0.577) 0.577 28.238 ( 0.000 0.000 -0.988) 0.988 28.253 ( 0.000 0.000 3.447) 3.447 28.285 ( 0.000 0.000 -1.731) 1.731 28.438 ( 0.000 0.000 -5.131) 5.131 29.982 ( 0.000 0.000 13.294) 13.294 30.252 ( 0.000 0.000 7.807) 7.807 30.460 ( 0.000 0.000 8.256) 8.256 30.589 ( -0.000 -0.000 -14.290) 14.290 30.614 ( 0.000 0.000 -8.616) 8.616 30.800 ( 0.000 0.000 -7.184) 7.184 ======================= Grid point 51 (12/21) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 10.499 18.184 13.944) 25.205 1.483 ( 15.920 27.574 13.695) 34.660 1.867 ( -0.256 -0.444 -7.739) 7.756 2.025 ( 8.123 14.069 -14.150) 21.544 2.030 ( 6.127 10.611 -20.435) 23.827 2.140 ( 0.984 1.705 -13.193) 13.339 2.255 ( 19.682 34.090 16.080) 42.521 2.302 ( 1.554 2.691 1.852) 3.618 2.421 ( 0.114 0.197 3.935) 3.942 2.424 ( -1.179 -2.042 -2.736) 3.612 2.435 ( 4.657 8.065 1.247) 9.396 2.448 ( -0.106 -0.184 4.555) 4.560 2.542 ( 0.667 1.154 5.893) 6.042 2.562 ( 1.785 3.091 -2.825) 4.553 2.638 ( -2.645 -4.582 1.758) 5.575 2.682 ( 2.220 3.845 2.428) 5.060 2.720 ( -1.955 -3.385 1.141) 4.072 2.764 ( -0.890 -1.541 -2.627) 3.173 2.816 ( -5.950 -10.306 -1.135) 11.955 2.834 ( 1.437 2.489 2.093) 3.556 2.855 ( -3.479 -6.026 2.343) 7.342 2.875 ( -0.942 -1.632 3.682) 4.136 2.896 ( -0.609 -1.054 -4.213) 4.386 2.944 ( 0.648 1.122 -1.167) 1.744 2.984 ( -3.110 -5.387 1.666) 6.439 3.017 ( 0.556 0.963 2.973) 3.174 3.024 ( -2.149 -3.722 3.877) 5.788 3.119 ( -4.842 -8.387 4.379) 10.629 3.147 ( 3.617 6.265 -3.770) 8.158 3.241 ( 1.922 3.329 -3.157) 4.974 3.268 ( 2.396 4.151 0.116) 4.794 3.297 ( 3.217 5.572 -8.292) 10.495 3.372 ( 0.815 1.412 -3.120) 3.520 3.383 ( 3.659 6.338 1.396) 7.450 3.435 ( 1.042 1.806 -3.600) 4.160 3.461 ( 1.630 2.823 -3.851) 5.046 3.482 ( 0.780 1.352 -0.368) 1.603 3.484 ( 1.307 2.263 0.321) 2.633 3.503 ( 2.107 3.650 0.280) 4.224 3.554 ( -0.426 -0.738 -0.314) 0.908 3.577 ( 0.293 0.508 -1.128) 1.271 3.596 ( 0.746 1.292 -0.618) 1.614 3.623 ( 0.234 0.406 4.928) 4.950 3.661 ( -0.630 -1.091 -0.780) 1.482 3.667 ( 0.459 0.795 -0.812) 1.225 3.704 ( 0.410 0.710 -0.894) 1.213 3.750 ( 1.031 1.785 -3.847) 4.365 3.753 ( -1.992 -3.451 -2.204) 4.554 3.799 ( -0.526 -0.911 -4.526) 4.647 3.849 ( 2.634 4.562 6.182) 8.122 3.898 ( 1.754 3.038 5.982) 6.934 3.939 ( -0.187 -0.323 3.141) 3.163 3.986 ( 2.190 3.793 9.041) 10.046 4.036 ( -0.345 -0.597 4.089) 4.147 4.068 ( -1.788 -3.097 3.490) 4.997 4.131 ( 1.720 2.979 -1.696) 3.835 4.164 ( 3.182 5.511 -2.720) 6.921 4.170 ( 2.103 3.642 -3.209) 5.290 4.231 ( -3.579 -6.198 -3.746) 8.078 4.262 ( -1.365 -2.363 -5.171) 5.847 4.268 ( 2.399 4.156 2.870) 5.591 4.321 ( -2.427 -4.203 2.288) 5.366 4.348 ( 0.217 0.377 -0.587) 0.731 4.408 ( 0.857 1.484 -0.623) 1.824 4.419 ( -0.792 -1.372 -2.067) 2.604 4.441 ( -0.770 -1.334 1.934) 2.472 4.441 ( -4.897 -8.482 2.496) 10.108 4.452 ( -1.703 -2.949 -8.340) 9.008 4.517 ( -1.814 -3.141 5.270) 6.398 4.581 ( 0.968 1.676 -4.415) 4.821 4.653 ( -3.079 -5.333 8.578) 10.560 4.687 ( -1.146 -1.984 1.346) 2.657 4.738 ( -3.111 -5.388 4.706) 7.801 4.760 ( -6.444 -11.161 -3.136) 13.263 4.813 ( -4.726 -8.186 -3.840) 10.203 4.851 ( 1.460 2.529 4.553) 5.409 4.869 ( -1.675 -2.901 -9.222) 9.812 4.923 ( -1.480 -2.563 -11.451) 11.827 4.999 ( -4.298 -7.444 -6.900) 11.023 5.010 ( 2.033 3.521 3.668) 5.476 5.071 ( -3.835 -6.642 -1.229) 7.768 5.144 ( -2.739 -4.743 3.775) 6.652 5.221 ( -2.470 -4.279 -0.828) 5.010 5.245 ( -1.536 -2.660 4.405) 5.370 5.330 ( -2.473 -4.283 6.300) 8.010 5.357 ( -1.787 -3.096 2.360) 4.283 5.404 ( -1.516 -2.626 5.471) 6.255 5.445 ( -0.953 -1.651 -6.288) 6.571 5.498 ( 0.208 0.360 3.011) 3.040 5.513 ( -3.263 -5.652 0.680) 6.561 5.587 ( -3.538 -6.128 2.099) 7.381 5.623 ( 2.326 4.029 -1.754) 4.972 5.654 ( 0.625 1.082 0.031) 1.250 5.679 ( -4.952 -8.577 7.150) 12.215 5.812 ( 1.085 1.878 -9.395) 9.642 5.875 ( -1.603 -2.777 -1.721) 3.639 5.882 ( -2.719 -4.710 6.101) 8.173 5.988 ( -1.605 -2.779 -1.998) 3.780 6.054 ( 1.580 2.736 0.993) 3.312 6.127 ( 0.805 1.395 10.429) 10.553 6.148 ( 1.766 3.059 -0.900) 3.646 6.213 ( 0.559 0.967 4.183) 4.330 6.224 ( 0.237 0.410 0.174) 0.505 6.275 ( 1.003 1.737 -0.116) 2.009 6.285 ( 1.869 3.238 6.923) 7.868 6.319 ( 1.520 2.633 0.753) 3.133 6.380 ( 1.203 2.084 3.831) 4.524 6.472 ( 2.391 4.142 -3.609) 5.991 6.479 ( 1.090 1.888 -1.675) 2.750 6.549 ( -0.995 -1.724 -0.502) 2.053 6.569 ( 0.967 1.676 -5.487) 5.818 6.579 ( 1.749 3.030 -3.524) 4.966 6.656 ( -1.315 -2.277 -4.242) 4.991 6.672 ( -2.245 -3.888 -5.200) 6.870 6.834 ( 0.396 0.686 4.389) 4.460 6.895 ( 2.176 3.768 0.301) 4.362 6.903 ( 3.021 5.233 1.864) 6.323 7.006 ( 1.264 2.189 -1.502) 2.940 7.153 ( -2.988 -5.175 4.890) 7.721 7.412 ( 0.687 1.189 -5.761) 5.922 7.555 ( -3.677 -6.368 4.855) 8.811 7.639 ( 1.458 2.526 1.232) 3.166 7.776 ( -1.940 -3.361 -3.864) 5.476 8.082 ( -4.968 -8.604 -17.614) 20.223 8.237 ( -0.244 -0.422 6.437) 6.456 8.354 ( 1.821 3.154 15.639) 16.057 8.507 ( -1.187 -2.056 -3.168) 3.959 8.552 ( 1.508 2.612 3.293) 4.465 8.682 ( -1.313 -2.275 9.083) 9.455 8.702 ( -1.905 -3.299 6.062) 7.160 8.888 ( 0.921 1.595 -4.050) 4.449 8.925 ( 2.495 4.321 -5.770) 7.628 9.011 ( 1.546 2.677 -8.024) 8.599 9.023 ( 4.214 7.299 -13.896) 16.252 9.084 ( 1.622 2.809 0.597) 3.299 9.157 ( -1.826 -3.163 -3.046) 4.756 9.198 ( 0.025 0.044 -12.673) 12.673 9.219 ( 1.237 2.143 -9.581) 9.895 9.445 ( -1.758 -3.045 6.278) 7.196 9.514 ( 1.989 3.445 8.152) 9.071 9.553 ( 0.644 1.116 4.255) 4.445 9.620 ( 3.778 6.543 6.215) 9.783 10.023 ( -6.535 -11.318 3.757) 13.599 10.133 ( -3.507 -6.074 6.552) 9.598 10.169 ( -8.575 -14.852 -3.969) 17.603 10.353 ( -3.287 -5.692 -4.073) 7.732 10.640 ( 3.932 6.811 2.196) 8.166 10.677 ( 1.986 3.440 -4.322) 5.870 10.710 ( 3.671 6.359 -4.422) 8.571 10.809 ( 3.094 5.359 -5.082) 8.007 12.393 ( -1.472 -2.549 -0.115) 2.946 12.439 ( -0.562 -0.974 -2.484) 2.727 12.509 ( -0.441 -0.764 -4.652) 4.735 12.532 ( 0.133 0.230 -5.071) 5.078 12.718 ( -1.132 -1.960 0.249) 2.277 12.878 ( -0.586 -1.015 15.968) 16.011 12.888 ( -2.279 -3.947 11.446) 12.320 12.943 ( -1.803 -3.123 -6.401) 7.347 13.092 ( 2.529 4.380 13.811) 14.708 13.335 ( -0.339 -0.587 -5.907) 5.946 13.361 ( 0.487 0.843 -7.161) 7.226 13.475 ( 2.200 3.810 -1.425) 4.625 14.043 ( -2.159 -3.740 5.284) 6.824 14.138 ( -0.468 -0.810 2.833) 2.983 14.162 ( -0.760 -1.316 5.976) 6.166 14.209 ( 0.463 0.803 4.751) 4.841 14.215 ( -0.694 -1.202 4.434) 4.646 14.273 ( 1.591 2.756 0.464) 3.216 14.290 ( 1.664 2.882 -3.778) 5.035 14.452 ( -0.268 -0.465 -4.917) 4.946 14.495 ( -2.860 -4.954 12.987) 14.191 14.585 ( -1.550 -2.684 -2.916) 4.255 14.633 ( -0.947 -1.640 -8.828) 9.029 15.032 ( 0.563 0.976 2.959) 3.166 15.077 ( -0.014 -0.024 3.191) 3.191 15.125 ( 0.489 0.848 3.162) 3.310 15.139 ( -1.041 -1.802 3.423) 4.006 15.257 ( 0.276 0.478 -4.478) 4.511 15.291 ( -0.919 -1.591 1.526) 2.388 15.295 ( 0.634 1.098 -2.842) 3.112 15.344 ( 1.110 1.922 -0.783) 2.353 15.351 ( -2.379 -4.120 -0.567) 4.792 15.479 ( 1.444 2.501 2.831) 4.044 15.495 ( 1.838 3.184 2.088) 4.228 15.619 ( 1.907 3.303 -2.382) 4.497 15.634 ( 0.240 0.415 -3.258) 3.293 19.670 ( -2.419 -4.189 3.587) 6.022 19.876 ( 1.262 2.187 1.844) 3.126 19.909 ( -0.705 -1.222 -8.065) 8.187 19.976 ( 0.912 1.580 -2.621) 3.194 19.998 ( -0.256 -0.444 1.813) 1.884 20.098 ( -0.170 -0.295 -2.862) 2.882 25.262 ( -2.465 -4.269 3.829) 6.242 25.425 ( -1.434 -2.484 -3.210) 4.305 25.436 ( 1.737 3.009 2.610) 4.346 25.553 ( 2.204 3.817 -2.641) 5.139 25.666 ( -1.520 -2.632 9.777) 10.238 25.965 ( -5.441 -9.425 -4.931) 11.948 27.183 ( 0.804 1.393 0.875) 1.831 27.222 ( 0.925 1.602 1.716) 2.523 27.226 ( 0.385 0.667 -1.417) 1.613 27.272 ( -1.826 -3.163 1.112) 3.818 27.302 ( -1.469 -2.545 0.389) 2.964 27.303 ( 0.864 1.497 -2.050) 2.681 27.384 ( 0.231 0.399 3.624) 3.653 27.404 ( -0.252 -0.436 2.798) 2.843 27.467 ( 1.307 2.264 -0.539) 2.670 27.543 ( -1.338 -2.318 1.061) 2.879 27.568 ( 2.409 4.172 -4.067) 6.304 27.610 ( 0.422 0.731 2.526) 2.663 27.633 ( 0.539 0.933 0.910) 1.410 27.710 ( 0.713 1.236 -1.789) 2.289 27.727 ( -1.383 -2.395 -0.445) 2.801 27.786 ( -0.967 -1.675 0.460) 1.988 27.859 ( 1.223 2.119 0.836) 2.585 27.871 ( 4.056 7.025 1.029) 8.177 27.904 ( 2.701 4.678 -0.344) 5.413 27.964 ( 2.284 3.955 0.941) 4.663 28.000 ( 2.974 5.151 0.507) 5.970 28.056 ( 1.445 2.504 -0.330) 2.910 28.070 ( 1.842 3.191 -3.113) 4.824 28.113 ( 1.382 2.395 -2.238) 3.557 28.143 ( 0.691 1.197 1.312) 1.906 28.172 ( 1.074 1.860 0.183) 2.155 28.179 ( 0.334 0.578 0.626) 0.915 28.225 ( 1.786 3.094 -0.036) 3.573 28.314 ( -1.550 -2.685 5.008) 5.890 28.520 ( -2.458 -4.257 -4.805) 6.874 29.917 ( 0.897 1.554 3.230) 3.695 30.353 ( 5.503 9.532 -17.766) 20.899 30.387 ( -4.295 -7.439 11.970) 14.733 30.615 ( -4.722 -8.179 6.423) 11.421 30.825 ( -4.033 -6.986 -8.829) 11.959 30.894 ( -3.188 -5.521 -6.113) 8.832 ======================= Grid point 52 (13/21) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 9.349 16.721 -3.579) 19.488 1.866 ( 4.492 -0.823 -11.081) 11.986 2.015 ( 11.829 11.369 3.692) 16.818 2.075 ( -6.978 2.290 -13.404) 15.284 2.108 ( 0.776 0.289 -19.180) 19.198 2.290 ( 3.986 0.845 -3.493) 5.367 2.309 ( 5.505 -2.054 -2.638) 6.441 2.353 ( -0.258 -0.111 0.464) 0.542 2.396 ( -2.978 -3.871 4.740) 6.805 2.435 ( -3.494 -2.965 0.673) 4.632 2.457 ( 0.836 1.897 -0.557) 2.147 2.493 ( -3.489 -3.451 -4.671) 6.775 2.525 ( -0.530 -1.017 -1.751) 2.093 2.608 ( -1.724 -1.394 -2.056) 3.024 2.644 ( 3.715 0.175 1.837) 4.148 2.677 ( -3.479 -6.539 3.969) 8.404 2.709 ( 1.317 0.592 2.233) 2.660 2.743 ( 0.593 -2.404 -2.628) 3.611 2.751 ( 1.426 -3.242 0.275) 3.552 2.791 ( -0.739 0.696 -1.134) 1.522 2.804 ( -3.686 -4.197 -3.111) 6.394 2.852 ( -1.704 -3.549 0.851) 4.028 2.876 ( 0.645 0.659 0.214) 0.947 2.905 ( -1.180 -1.146 4.042) 4.364 2.956 ( -1.784 -4.719 4.397) 6.692 3.053 ( -4.017 10.191 -2.235) 11.180 3.095 ( 1.889 6.420 8.115) 10.518 3.125 ( 10.987 20.613 5.760) 24.058 3.268 ( 5.392 4.614 -4.474) 8.389 3.309 ( 0.587 3.622 0.955) 3.792 3.378 ( -2.748 1.088 -5.045) 5.847 3.433 ( 3.156 4.014 -0.512) 5.132 3.450 ( 1.136 4.972 1.367) 5.281 3.461 ( 1.827 3.360 -2.216) 4.421 3.483 ( 1.986 1.688 1.472) 2.994 3.506 ( -1.564 0.832 -0.333) 1.802 3.534 ( 1.826 7.433 0.862) 7.702 3.543 ( 1.236 0.999 -1.037) 1.898 3.553 ( 2.773 3.197 -2.757) 5.051 3.583 ( 4.300 3.898 0.413) 5.819 3.595 ( -1.751 0.899 -1.840) 2.695 3.617 ( 2.618 1.796 -0.137) 3.178 3.639 ( -1.244 -1.414 -0.585) 1.972 3.667 ( 3.077 2.277 0.964) 3.947 3.701 ( 2.885 -1.735 -2.120) 3.978 3.718 ( -0.387 0.115 0.091) 0.414 3.741 ( 1.692 2.711 -2.093) 3.820 3.773 ( 1.439 0.515 -2.383) 2.831 3.828 ( 0.327 2.528 -0.620) 2.624 3.904 ( 0.610 1.844 6.980) 7.245 3.918 ( 0.591 -0.763 4.076) 4.189 3.955 ( -0.408 0.612 7.422) 7.458 3.992 ( -2.140 -4.549 3.191) 5.955 4.026 ( -0.630 -1.428 5.389) 5.610 4.040 ( -2.468 -0.277 1.632) 2.972 4.065 ( -2.683 0.093 1.825) 3.246 4.144 ( 0.299 -3.375 -0.842) 3.491 4.183 ( -0.683 -0.046 -0.418) 0.803 4.203 ( -0.232 -4.484 3.255) 5.546 4.204 ( -3.811 -0.646 1.534) 4.158 4.247 ( -3.327 -6.655 1.526) 7.595 4.309 ( -1.154 1.724 -1.018) 2.311 4.313 ( 0.054 0.946 -1.480) 1.757 4.353 ( -1.472 -3.478 -1.618) 4.108 4.363 ( 0.947 2.857 -0.855) 3.129 4.413 ( -0.295 -0.619 -5.381) 5.425 4.433 ( -6.865 -1.389 1.009) 7.076 4.472 ( 0.405 -0.965 2.371) 2.592 4.504 ( 0.268 0.478 -1.212) 1.330 4.551 ( 0.563 -0.132 -3.179) 3.231 4.563 ( -0.143 0.821 -0.643) 1.052 4.605 ( -2.654 -6.267 0.370) 6.816 4.630 ( 2.239 -4.266 3.303) 5.841 4.688 ( 3.375 -7.296 -1.668) 8.210 4.753 ( 1.226 -2.286 -5.134) 5.751 4.781 ( -2.184 -0.170 -6.478) 6.838 4.834 ( -2.556 -1.981 0.780) 3.326 4.851 ( -3.395 0.596 -0.282) 3.458 4.924 ( -2.778 -3.471 -2.467) 5.084 4.944 ( -1.696 -1.474 -13.681) 13.865 5.055 ( -2.057 -0.718 6.514) 6.869 5.066 ( -1.092 0.694 5.257) 5.414 5.122 ( -2.174 -2.278 4.901) 5.825 5.172 ( 0.354 0.530 2.655) 2.730 5.302 ( -2.168 -0.474 -1.124) 2.487 5.320 ( 0.250 -1.954 4.473) 4.888 5.325 ( -4.435 -9.213 4.530) 11.184 5.366 ( -0.685 -3.718 4.055) 5.543 5.431 ( -3.346 -5.650 5.309) 8.444 5.443 ( 1.388 -3.184 2.388) 4.215 5.559 ( 6.538 -4.141 -0.129) 7.740 5.597 ( -1.221 5.881 2.364) 6.455 5.642 ( -1.903 -2.901 -0.138) 3.472 5.722 ( 3.869 2.519 -2.412) 5.209 5.787 ( -0.561 -5.238 1.503) 5.479 5.803 ( 0.941 -2.644 1.403) 3.138 5.873 ( -4.408 -0.116 -3.943) 5.915 5.928 ( 0.572 0.193 -6.735) 6.762 6.119 ( 1.192 2.307 3.369) 4.254 6.150 ( 0.501 2.570 6.187) 6.719 6.191 ( -0.155 1.666 3.262) 3.666 6.216 ( -0.767 1.702 3.693) 4.138 6.250 ( 0.938 1.372 1.728) 2.398 6.264 ( -3.191 1.390 1.840) 3.937 6.342 ( 0.229 -0.387 1.128) 1.214 6.347 ( 1.971 1.445 6.063) 6.537 6.394 ( -3.486 1.165 -0.631) 3.729 6.419 ( -1.718 0.053 2.235) 2.820 6.515 ( 3.562 -3.131 -2.017) 5.153 6.538 ( 0.849 -4.055 -3.065) 5.153 6.589 ( -1.418 1.399 -5.293) 5.655 6.624 ( 1.698 -0.294 -4.245) 4.581 6.634 ( -0.542 -0.148 -3.585) 3.629 6.658 ( 0.824 0.566 -6.312) 6.391 6.887 ( 2.930 2.987 2.310) 4.780 6.968 ( 1.931 2.846 0.068) 3.439 6.986 ( 2.287 1.328 0.863) 2.782 7.016 ( -0.911 0.093 0.834) 1.239 7.074 ( -2.362 -2.145 5.971) 6.769 7.453 ( -0.471 1.804 -12.584) 12.721 7.497 ( -0.864 3.248 5.244) 6.229 7.688 ( 0.470 -1.814 -1.476) 2.385 7.727 ( 0.694 2.122 -3.549) 4.192 7.922 ( -4.177 -5.732 -14.437) 16.085 8.303 ( 4.201 6.509 7.954) 11.103 8.390 ( 1.683 -1.716 18.146) 18.305 8.473 ( -7.080 0.293 6.526) 9.633 8.503 ( -4.787 0.295 3.422) 5.892 8.609 ( 1.827 -1.473 0.887) 2.509 8.704 ( 5.658 -9.718 9.632) 14.806 8.905 ( -0.648 1.657 -3.327) 3.773 9.026 ( -1.073 0.313 -11.032) 11.089 9.063 ( 3.833 1.013 -8.827) 9.676 9.082 ( 3.236 0.068 -10.545) 11.031 9.114 ( -0.503 1.473 -1.238) 1.989 9.156 ( 1.889 3.053 -5.204) 6.323 9.209 ( -0.479 3.420 -11.754) 12.250 9.264 ( 0.207 0.800 0.949) 1.259 9.363 ( -4.748 0.410 -5.522) 7.294 9.554 ( 1.363 3.446 3.488) 5.089 9.603 ( 3.259 -0.582 6.959) 7.707 9.724 ( -4.922 0.144 5.195) 7.158 9.761 ( -5.074 -3.489 5.425) 8.207 9.917 ( -5.351 -2.935 3.659) 7.116 10.094 ( 6.043 -13.245 4.275) 15.174 10.281 ( 2.296 -7.483 -3.446) 8.553 10.682 ( -3.655 6.960 -1.790) 8.063 10.775 ( 1.430 3.629 -1.400) 4.144 10.782 ( -1.342 6.082 -4.504) 7.686 10.912 ( 3.640 0.592 -4.978) 6.195 12.347 ( -2.080 0.610 2.027) 2.967 12.429 ( 1.008 -2.157 -1.723) 2.939 12.493 ( -0.904 0.354 -4.374) 4.481 12.534 ( 0.457 -0.768 -4.716) 4.800 12.695 ( -0.074 -0.739 -2.552) 2.658 12.820 ( -1.982 0.058 14.953) 15.084 12.877 ( 1.579 -2.918 16.759) 17.084 12.912 ( -0.524 -0.183 -13.300) 13.311 13.158 ( 0.151 3.591 14.620) 15.056 13.317 ( -1.565 1.256 -8.035) 8.282 13.392 ( 2.724 -2.134 -7.391) 8.161 13.530 ( 0.258 2.601 0.674) 2.700 13.965 ( -0.420 -4.914 7.609) 9.068 14.112 ( -2.068 1.476 5.586) 6.137 14.150 ( 0.896 -1.012 3.627) 3.870 14.205 ( 0.095 0.309 3.790) 3.804 14.224 ( -0.732 0.826 2.804) 3.013 14.344 ( 1.820 1.008 -5.650) 6.021 14.350 ( 3.174 2.781 -2.893) 5.116 14.420 ( -2.229 -1.437 -1.703) 3.152 14.437 ( -0.610 -1.504 12.833) 12.935 14.532 ( -2.912 1.084 -9.692) 10.178 14.617 ( 0.982 -2.205 -7.409) 7.793 15.065 ( 1.435 0.929 2.187) 2.775 15.072 ( 0.863 -1.931 4.351) 4.838 15.105 ( -1.522 -0.173 4.198) 4.468 15.152 ( 0.815 1.352 5.007) 5.250 15.234 ( -3.371 1.480 -1.359) 3.925 15.272 ( -0.344 -0.703 -2.850) 2.956 15.289 ( -0.035 -0.420 -0.310) 0.523 15.312 ( 0.394 -1.524 -0.857) 1.792 15.378 ( 0.017 1.578 -2.817) 3.229 15.533 ( 2.978 0.144 1.717) 3.441 15.556 ( 0.859 2.529 0.192) 2.678 15.626 ( 0.188 -1.576 -2.559) 3.011 15.653 ( -0.233 0.569 -2.587) 2.659 19.609 ( -0.907 -1.712 4.629) 5.018 19.888 ( -0.408 -0.479 -7.954) 7.979 19.920 ( 1.035 1.706 1.312) 2.388 19.977 ( -0.745 -0.467 1.599) 1.824 20.011 ( 0.681 1.277 -2.478) 2.870 20.084 ( -0.231 -1.271 -3.153) 3.407 25.196 ( 0.065 -4.019 4.372) 5.939 25.371 ( -2.542 1.137 -2.876) 4.003 25.502 ( 1.123 2.217 2.362) 3.429 25.629 ( 1.664 3.295 -1.526) 3.994 25.641 ( 0.719 -0.963 3.037) 3.266 25.813 ( -3.368 -5.242 -3.304) 7.052 27.197 ( -0.779 -1.867 0.650) 2.125 27.206 ( 0.574 1.435 0.656) 1.680 27.251 ( -1.793 -0.769 0.328) 1.978 27.258 ( 1.415 -0.784 -0.027) 1.618 27.299 ( 4.679 -0.810 1.380) 4.945 27.316 ( 1.947 -2.663 0.731) 3.379 27.363 ( -0.867 -3.116 3.955) 5.109 27.437 ( 3.503 1.805 2.814) 4.842 27.479 ( -1.624 0.287 -2.616) 3.092 27.508 ( -2.599 3.449 1.631) 4.617 27.574 ( -4.185 3.372 2.155) 5.790 27.606 ( -6.131 -0.638 1.982) 6.475 27.626 ( 0.077 0.722 -1.437) 1.610 27.704 ( 3.858 0.765 2.571) 4.699 27.744 ( -0.679 2.605 -2.936) 3.983 27.820 ( 1.739 -0.979 -0.057) 1.996 27.881 ( 3.216 0.539 -4.573) 5.617 27.976 ( 0.298 2.889 -0.107) 2.906 27.989 ( 1.602 3.245 -0.002) 3.618 27.996 ( 0.394 0.518 -1.398) 1.542 28.033 ( -3.084 3.656 0.311) 4.794 28.123 ( 0.104 3.021 -3.192) 4.396 28.133 ( 4.185 -0.273 -0.049) 4.194 28.165 ( 0.396 -0.052 0.831) 0.922 28.171 ( 1.854 1.344 1.249) 2.608 28.195 ( 0.566 1.453 -0.415) 1.613 28.213 ( 1.655 0.194 -1.102) 1.998 28.252 ( -0.048 -1.564 2.487) 2.938 28.274 ( -0.082 -0.757 -0.744) 1.065 28.444 ( -1.662 -2.253 -5.075) 5.796 29.969 ( 1.982 1.883 11.618) 11.935 30.276 ( -2.438 -1.268 9.446) 9.838 30.453 ( -3.445 -6.983 7.860) 11.064 30.524 ( 5.896 5.488 -13.500) 15.721 30.685 ( -5.639 -4.011 -9.345) 11.628 30.788 ( -1.730 -4.859 -7.266) 8.911 ======================= Grid point 58 (14/21) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -4.385 -7.595 -11.830) 14.726 1.788 ( 4.385 7.595 -11.830) 14.726 2.102 ( -0.000 -0.000 9.588) 9.588 2.106 ( -0.750 -1.299 -16.516) 16.583 2.106 ( 0.750 1.299 -16.516) 16.583 2.199 ( -0.000 -0.000 5.167) 5.167 2.309 ( -0.000 -0.000 -3.016) 3.016 2.389 ( -0.322 -0.558 2.349) 2.436 2.389 ( 0.322 0.558 2.349) 2.436 2.415 ( -0.000 -0.000 -5.378) 5.378 2.469 ( -3.223 -5.582 -2.823) 7.037 2.469 ( 3.223 5.582 -2.823) 7.037 2.538 ( -0.000 -0.000 11.393) 11.393 2.576 ( -4.023 -6.969 -1.600) 8.204 2.576 ( 4.023 6.969 -1.600) 8.204 2.649 ( -0.000 -0.000 2.511) 2.511 2.702 ( -2.456 -4.254 -5.278) 7.210 2.702 ( 2.456 4.254 -5.278) 7.210 2.726 ( -0.000 -0.000 -2.319) 2.319 2.769 ( -2.142 -3.711 1.809) 4.651 2.769 ( 2.142 3.711 1.809) 4.651 2.850 ( -1.739 -3.013 -4.037) 5.330 2.850 ( 1.739 3.013 -4.037) 5.330 2.877 ( -0.000 -0.000 5.057) 5.057 2.908 ( -0.000 -0.000 4.635) 4.635 3.160 ( -0.516 -0.894 5.142) 5.245 3.160 ( 0.516 0.894 5.142) 5.245 3.266 ( -0.000 -0.000 -21.952) 21.952 3.368 ( -1.642 -2.844 -6.114) 6.940 3.368 ( 1.642 2.844 -6.114) 6.940 3.461 ( -0.000 -0.000 -1.682) 1.682 3.487 ( -1.948 -3.375 1.767) 4.279 3.487 ( 1.948 3.375 1.767) 4.279 3.488 ( -0.000 -0.000 -1.800) 1.800 3.546 ( -2.847 -4.931 1.059) 5.792 3.546 ( 2.847 4.931 1.059) 5.792 3.556 ( -1.111 -1.925 2.309) 3.205 3.556 ( 1.111 1.925 2.309) 3.205 3.567 ( 0.000 0.000 3.044) 3.044 3.636 ( -0.209 -0.362 -1.077) 1.155 3.636 ( 0.209 0.362 -1.077) 1.155 3.668 ( -0.000 -0.000 -0.279) 0.279 3.680 ( -1.504 -2.606 0.692) 3.087 3.680 ( 0.612 1.060 3.826) 4.017 3.680 ( 0.893 1.546 4.805) 5.126 3.754 ( -0.000 -0.000 -4.383) 4.383 3.767 ( -1.227 -2.125 -1.350) 2.801 3.767 ( 1.227 2.125 -1.350) 2.801 3.883 ( -1.494 -2.587 5.632) 6.375 3.883 ( 1.494 2.587 5.632) 6.375 3.939 ( -3.074 -5.324 5.693) 8.379 3.939 ( 3.074 5.324 5.693) 8.379 3.964 ( 0.000 0.000 4.351) 4.351 3.991 ( -0.000 -0.000 5.308) 5.308 4.063 ( -0.001 -0.002 4.825) 4.825 4.063 ( 0.001 0.002 4.825) 4.825 4.067 ( -0.000 -0.000 -2.816) 2.816 4.150 ( -0.000 -0.000 3.415) 3.415 4.176 ( 0.000 0.000 7.054) 7.054 4.195 ( -2.086 -3.613 -2.998) 5.137 4.195 ( 2.086 3.613 -2.998) 5.137 4.263 ( -1.795 -3.108 -2.252) 4.237 4.263 ( 1.795 3.108 -2.252) 4.237 4.370 ( -2.954 -5.116 2.748) 6.516 4.370 ( 2.954 5.116 2.748) 6.516 4.438 ( -1.014 -1.757 -2.046) 2.881 4.438 ( 1.014 1.757 -2.046) 2.881 4.468 ( 0.000 0.000 -2.074) 2.074 4.488 ( -0.195 -0.338 0.164) 0.423 4.488 ( 0.195 0.338 0.164) 0.423 4.556 ( -0.000 -0.000 -4.856) 4.856 4.591 ( -0.015 -0.026 -3.430) 3.430 4.591 ( 0.015 0.026 -3.430) 3.430 4.606 ( -0.000 -0.000 2.396) 2.396 4.690 ( -0.000 -0.000 -5.686) 5.686 4.807 ( -0.000 -0.000 5.560) 5.560 4.833 ( -0.401 -0.694 -3.819) 3.902 4.833 ( 0.401 0.694 -3.819) 3.902 4.887 ( -0.000 -0.000 2.261) 2.261 4.916 ( -0.000 -0.000 -16.363) 16.363 5.078 ( -1.080 -1.870 11.075) 11.283 5.078 ( 1.080 1.870 11.075) 11.283 5.099 ( -0.000 -0.000 -0.562) 0.562 5.201 ( -0.000 -0.000 -5.298) 5.298 5.231 ( -1.768 -3.062 2.634) 4.408 5.231 ( 1.768 3.062 2.634) 4.408 5.300 ( -0.849 -1.471 -0.036) 1.699 5.300 ( 0.849 1.471 -0.036) 1.699 5.394 ( -0.000 -0.000 11.224) 11.224 5.449 ( -1.801 -3.120 0.329) 3.617 5.449 ( 1.801 3.120 0.329) 3.617 5.632 ( 0.000 0.000 7.629) 7.629 5.692 ( -1.234 -2.137 2.102) 3.242 5.692 ( 1.234 2.137 2.102) 3.242 5.782 ( -0.000 -0.000 -7.837) 7.837 5.794 ( -1.779 -3.081 1.390) 3.819 5.794 ( 1.779 3.081 1.390) 3.819 5.966 ( -0.000 -0.000 -10.716) 10.716 6.158 ( -0.631 -1.094 3.740) 3.948 6.158 ( 0.631 1.094 3.740) 3.948 6.240 ( 0.000 0.000 12.619) 12.619 6.243 ( -1.137 -1.969 2.971) 3.741 6.243 ( 1.137 1.969 2.971) 3.741 6.302 ( -1.480 -2.563 -2.397) 3.808 6.302 ( 1.480 2.563 -2.397) 3.808 6.373 ( -0.000 -0.000 10.722) 10.722 6.430 ( -1.593 -2.760 -1.404) 3.482 6.430 ( 1.593 2.760 -1.404) 3.482 6.447 ( -1.763 -3.054 -0.428) 3.552 6.447 ( 1.763 3.054 -0.428) 3.552 6.614 ( -0.118 -0.204 -4.943) 4.949 6.614 ( 0.118 0.204 -4.943) 4.949 6.635 ( -0.000 -0.000 -3.821) 3.821 6.684 ( -0.000 -0.000 -8.753) 8.753 6.959 ( -1.848 -3.201 0.472) 3.726 6.959 ( 1.848 3.201 0.472) 3.726 7.008 ( -0.604 -1.045 0.596) 1.346 7.008 ( 0.604 1.045 0.596) 1.346 7.051 ( -0.000 -0.000 7.929) 7.929 7.468 ( -0.000 -0.000 -13.867) 13.867 7.601 ( -2.817 -4.879 1.044) 5.730 7.601 ( 2.817 4.879 1.044) 5.730 7.813 ( -2.656 -4.600 -8.982) 10.435 7.813 ( 2.656 4.600 -8.982) 10.435 8.365 ( -0.000 -0.000 20.507) 20.507 8.477 ( -2.818 -4.880 7.263) 9.192 8.477 ( 2.818 4.880 7.263) 9.192 8.494 ( 0.000 0.000 11.204) 11.204 8.549 ( -2.079 -3.600 2.063) 4.641 8.549 ( 2.079 3.600 2.063) 4.641 8.916 ( -0.000 -0.000 -3.463) 3.463 9.019 ( -0.000 -0.000 -5.665) 5.665 9.076 ( -0.000 -0.000 -16.991) 16.991 9.109 ( -1.068 -1.850 -4.955) 5.396 9.109 ( 1.068 1.850 -4.955) 5.396 9.187 ( -0.000 -0.000 -4.624) 4.624 9.255 ( -0.000 -0.000 3.742) 3.742 9.337 ( -2.818 -4.880 -14.251) 15.325 9.337 ( 2.818 4.880 -14.251) 15.325 9.574 ( -0.000 -0.000 -5.045) 5.045 9.626 ( -1.227 -2.125 11.356) 11.618 9.626 ( 1.227 2.125 11.356) 11.618 9.846 ( -2.583 -4.474 4.408) 6.791 9.846 ( 2.583 4.474 4.408) 6.791 9.930 ( -0.000 -0.000 10.195) 10.195 10.202 ( -0.000 -0.000 -4.038) 4.038 10.772 ( -0.940 -1.629 -0.401) 1.923 10.772 ( 0.940 1.629 -0.401) 1.923 10.894 ( -1.426 -2.470 -5.805) 6.468 10.894 ( 1.426 2.470 -5.805) 6.468 12.380 ( -1.210 -2.096 0.696) 2.518 12.380 ( 1.210 2.096 0.696) 2.518 12.511 ( -0.656 -1.136 -4.531) 4.717 12.511 ( 0.656 1.136 -4.531) 4.717 12.687 ( -0.000 -0.000 -3.144) 3.144 12.834 ( -0.691 -1.198 15.691) 15.752 12.834 ( 0.691 1.198 15.691) 15.752 12.912 ( -0.000 -0.000 -13.923) 13.923 13.198 ( -0.000 -0.000 15.520) 15.520 13.349 ( -1.000 -1.733 -8.445) 8.679 13.349 ( 1.000 1.733 -8.445) 8.679 13.556 ( -0.000 -0.000 1.623) 1.623 13.911 ( -0.000 -0.000 8.681) 8.681 14.133 ( -0.408 -0.706 4.491) 4.564 14.133 ( 0.408 0.706 4.491) 4.564 14.220 ( -0.477 -0.827 2.314) 2.503 14.220 ( 0.477 0.827 2.314) 2.503 14.356 ( -0.000 -0.000 -12.581) 12.581 14.394 ( -0.641 -1.111 -1.497) 1.971 14.394 ( 0.641 1.111 -1.497) 1.971 14.423 ( -0.000 -0.000 18.058) 18.058 14.568 ( -1.219 -2.112 -9.190) 9.508 14.568 ( 1.219 2.112 -9.190) 9.508 15.048 ( -0.000 -0.000 7.043) 7.043 15.067 ( -0.000 -0.000 -4.308) 4.308 15.142 ( -1.273 -2.205 7.876) 8.277 15.142 ( 1.273 2.205 7.876) 8.277 15.239 ( -0.000 -0.000 -2.827) 2.827 15.282 ( -0.275 -0.477 0.858) 1.020 15.282 ( 0.275 0.477 0.858) 1.020 15.285 ( 0.000 0.000 -4.219) 4.219 15.400 ( -0.000 -0.000 -4.044) 4.044 15.557 ( -1.107 -1.917 0.254) 2.228 15.557 ( 1.107 1.917 0.254) 2.228 15.633 ( -1.102 -1.909 -2.382) 3.245 15.633 ( 1.102 1.909 -2.382) 3.245 19.591 ( -0.000 -0.000 5.059) 5.059 19.882 ( -0.000 -0.000 -8.037) 8.037 19.954 ( -0.771 -1.336 1.434) 2.106 19.954 ( 0.771 1.336 1.434) 2.106 20.049 ( -1.063 -1.841 -2.902) 3.598 20.049 ( 1.063 1.841 -2.902) 3.598 25.153 ( -0.000 -0.000 4.943) 4.943 25.375 ( -0.000 -0.000 -4.961) 4.961 25.577 ( -2.065 -3.577 3.518) 5.425 25.577 ( 2.065 3.577 3.518) 5.425 25.717 ( -2.248 -3.893 -2.751) 5.271 25.717 ( 2.248 3.893 -2.751) 5.271 27.174 ( -0.000 -0.000 0.673) 0.673 27.206 ( -0.000 -0.000 -0.756) 0.756 27.266 ( -0.984 -1.704 0.865) 2.149 27.266 ( 0.984 1.704 0.865) 2.149 27.289 ( -0.852 -1.476 1.115) 2.037 27.289 ( 0.852 1.476 1.115) 2.037 27.309 ( -0.000 -0.000 4.444) 4.444 27.473 ( -1.405 -2.434 2.416) 3.706 27.473 ( 1.405 2.434 2.416) 3.706 27.509 ( -0.000 -0.000 -4.075) 4.075 27.602 ( -0.373 -0.646 1.383) 1.572 27.602 ( 0.373 0.646 1.383) 1.572 27.647 ( -0.000 -0.000 7.355) 7.355 27.764 ( -2.227 -3.858 -2.423) 5.071 27.764 ( 2.227 3.858 -2.423) 5.071 27.842 ( -2.337 -4.047 -2.833) 5.465 27.842 ( 2.337 4.047 -2.833) 5.465 27.952 ( -0.000 -0.000 -6.096) 6.096 28.040 ( -0.000 -0.000 1.085) 1.085 28.071 ( -1.293 -2.240 1.548) 3.014 28.071 ( 1.293 2.240 1.548) 3.014 28.086 ( -0.000 -0.000 -1.005) 1.005 28.170 ( -0.577 -0.999 1.165) 1.640 28.170 ( 0.577 0.999 1.165) 1.640 28.191 ( -0.854 -1.479 -2.721) 3.213 28.191 ( 0.854 1.479 -2.721) 3.213 28.229 ( -0.000 -0.000 3.322) 3.322 28.242 ( -0.990 -1.714 -0.955) 2.198 28.242 ( 0.990 1.714 -0.955) 2.198 28.420 ( -0.000 -0.000 -5.781) 5.781 29.986 ( -0.000 -0.000 14.072) 14.072 30.322 ( -2.727 -4.723 8.409) 10.023 30.322 ( 2.727 4.723 8.409) 10.023 30.577 ( 0.000 0.000 -12.989) 12.989 30.690 ( -2.217 -3.840 -8.233) 9.351 30.690 ( 2.217 3.840 -8.233) 9.351 ======================= Grid point 86 (15/21) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 14 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 0.000 -28.349) 28.349 1.170 ( -0.000 0.000 -28.349) 28.349 1.170 ( -0.000 0.000 28.349) 28.349 1.170 ( 0.000 0.000 28.349) 28.349 2.128 ( 0.000 0.000 -0.573) 0.573 2.128 ( 0.000 -0.000 -0.573) 0.573 2.128 ( 0.000 -0.000 0.573) 0.573 2.128 ( -0.000 -0.000 0.573) 0.573 2.224 ( 0.000 0.000 -53.016) 53.016 2.224 ( 0.000 -0.000 53.016) 53.016 2.366 ( -0.000 0.000 -1.482) 1.482 2.366 ( 0.000 0.000 1.482) 1.482 2.498 ( 0.000 0.000 -1.606) 1.606 2.498 ( 0.000 -0.000 -1.606) 1.606 2.498 ( 0.000 0.000 1.606) 1.606 2.498 ( -0.000 0.000 1.606) 1.606 2.799 ( 0.000 -0.000 -3.208) 3.208 2.799 ( -0.000 0.000 -3.208) 3.208 2.799 ( 0.000 0.000 3.208) 3.208 2.799 ( 0.000 0.000 3.208) 3.208 2.907 ( 0.000 -0.000 -0.043) 0.043 2.907 ( 0.000 0.000 0.043) 0.043 3.085 ( 0.000 0.000 -3.497) 3.497 3.085 ( 0.000 0.000 3.497) 3.497 3.207 ( 0.000 0.000 -0.401) 0.401 3.207 ( -0.000 -0.000 -0.401) 0.401 3.207 ( -0.000 -0.000 0.401) 0.401 3.207 ( 0.000 0.000 0.401) 0.401 3.215 ( -0.000 0.000 -22.577) 22.577 3.215 ( 0.000 -0.000 22.577) 22.577 3.274 ( 0.000 0.000 -13.947) 13.947 3.274 ( 0.000 0.000 13.947) 13.947 3.283 ( 0.000 0.000 -0.758) 0.758 3.283 ( 0.000 -0.000 -0.758) 0.758 3.283 ( 0.000 0.000 0.758) 0.758 3.283 ( 0.000 0.000 0.758) 0.758 3.425 ( 0.000 -0.000 -0.596) 0.596 3.425 ( 0.000 0.000 -0.596) 0.596 3.425 ( 0.000 -0.000 0.596) 0.596 3.425 ( 0.000 -0.000 0.596) 0.596 3.611 ( 0.000 0.000 -3.775) 3.775 3.611 ( 0.000 0.000 3.775) 3.775 3.658 ( 0.000 -0.000 -0.252) 0.252 3.658 ( 0.000 0.000 -0.252) 0.252 3.658 ( 0.000 0.000 0.252) 0.252 3.658 ( 0.000 0.000 0.252) 0.252 3.773 ( 0.000 -0.000 -5.507) 5.507 3.773 ( -0.000 -0.000 5.507) 5.507 3.798 ( 0.000 -0.000 -6.035) 6.035 3.798 ( 0.000 0.000 -6.035) 6.035 3.798 ( 0.000 -0.000 6.035) 6.035 3.798 ( 0.000 -0.000 6.035) 6.035 4.027 ( 0.000 0.000 -3.285) 3.285 4.027 ( 0.000 -0.000 3.285) 3.285 4.096 ( 0.000 -0.000 -9.784) 9.784 4.096 ( 0.000 0.000 -9.784) 9.784 4.096 ( 0.000 -0.000 9.784) 9.784 4.096 ( 0.000 -0.000 9.784) 9.784 4.299 ( 0.000 0.000 -15.930) 15.930 4.299 ( 0.000 -0.000 -15.930) 15.930 4.299 ( 0.000 -0.000 15.930) 15.930 4.299 ( 0.000 -0.000 15.930) 15.930 4.368 ( 0.000 -0.000 -8.621) 8.621 4.368 ( 0.000 0.000 8.621) 8.621 4.464 ( -0.000 0.000 -5.761) 5.761 4.464 ( 0.000 -0.000 -5.761) 5.761 4.464 ( 0.000 0.000 5.761) 5.761 4.464 ( 0.000 0.000 5.761) 5.761 4.606 ( 0.000 -0.000 -8.028) 8.028 4.606 ( -0.000 0.000 8.028) 8.028 4.785 ( 0.000 0.000 -7.149) 7.149 4.785 ( 0.000 0.000 -7.149) 7.149 4.785 ( 0.000 -0.000 7.149) 7.149 4.785 ( 0.000 0.000 7.149) 7.149 4.855 ( 0.000 0.000 -6.167) 6.167 4.855 ( 0.000 0.000 6.167) 6.167 5.055 ( 0.000 0.000 -1.076) 1.076 5.055 ( -0.000 -0.000 1.076) 1.076 5.137 ( 0.000 0.000 -0.404) 0.404 5.137 ( -0.000 0.000 0.404) 0.404 5.315 ( 0.000 0.000 -6.676) 6.676 5.315 ( -0.000 -0.000 6.676) 6.676 5.393 ( 0.000 -0.000 -2.399) 2.399 5.393 ( -0.000 0.000 -2.399) 2.399 5.393 ( 0.000 -0.000 2.399) 2.399 5.393 ( 0.000 0.000 2.399) 2.399 5.473 ( 0.000 -0.000 -2.400) 2.400 5.473 ( 0.000 -0.000 -2.400) 2.400 5.473 ( 0.000 -0.000 2.400) 2.400 5.473 ( 0.000 -0.000 2.400) 2.400 5.708 ( -0.000 -0.000 -3.358) 3.358 5.708 ( -0.000 0.000 -3.358) 3.358 5.708 ( -0.000 0.000 3.358) 3.358 5.708 ( -0.000 0.000 3.358) 3.358 5.986 ( 0.000 -0.000 -3.215) 3.215 5.986 ( 0.000 -0.000 3.215) 3.215 6.015 ( -0.000 -0.000 -1.223) 1.223 6.015 ( 0.000 -0.000 -1.223) 1.223 6.015 ( 0.000 0.000 1.223) 1.223 6.015 ( 0.000 0.000 1.223) 1.223 6.042 ( -0.000 0.000 -7.082) 7.082 6.042 ( 0.000 0.000 7.082) 7.082 6.263 ( -0.000 0.000 -2.778) 2.778 6.263 ( 0.000 -0.000 2.778) 2.778 6.272 ( 0.000 0.000 -1.395) 1.395 6.272 ( 0.000 0.000 -1.395) 1.395 6.272 ( 0.000 -0.000 1.395) 1.395 6.272 ( 0.000 -0.000 1.395) 1.395 6.286 ( -0.000 0.000 -4.783) 4.783 6.286 ( 0.000 0.000 4.783) 4.783 6.657 ( 0.000 -0.000 -5.454) 5.454 6.657 ( 0.000 0.000 -5.454) 5.454 6.657 ( -0.000 0.000 5.454) 5.454 6.657 ( 0.000 0.000 5.454) 5.454 6.837 ( 0.000 0.000 -3.383) 3.383 6.837 ( 0.000 -0.000 -3.383) 3.383 6.837 ( 0.000 0.000 3.383) 3.383 6.837 ( 0.000 0.000 3.383) 3.383 7.720 ( 0.000 0.000 -8.746) 8.746 7.720 ( 0.000 0.000 -8.746) 8.746 7.720 ( 0.000 0.000 8.746) 8.746 7.720 ( 0.000 -0.000 8.746) 8.746 7.808 ( 0.000 0.000 -5.428) 5.428 7.808 ( 0.000 0.000 5.428) 5.428 8.408 ( 0.000 -0.000 -10.332) 10.332 8.408 ( 0.000 -0.000 10.332) 10.332 8.462 ( -0.000 0.000 -6.603) 6.603 8.462 ( 0.000 -0.000 -6.603) 6.603 8.462 ( 0.000 0.000 6.603) 6.603 8.462 ( 0.000 0.000 6.603) 6.603 8.904 ( -0.000 0.000 -1.279) 1.279 8.904 ( 0.000 -0.000 -1.279) 1.279 8.904 ( 0.000 0.000 1.279) 1.279 8.904 ( -0.000 0.000 1.279) 1.279 8.910 ( 0.000 0.000 -16.435) 16.435 8.910 ( 0.000 0.000 16.435) 16.435 9.253 ( 0.000 0.000 -8.009) 8.009 9.253 ( 0.000 -0.000 8.009) 8.009 9.506 ( 0.000 0.000 -0.912) 0.912 9.506 ( 0.000 -0.000 -0.912) 0.912 9.506 ( -0.000 -0.000 0.912) 0.912 9.506 ( -0.000 0.000 0.912) 0.912 10.457 ( 0.000 0.000 -8.702) 8.702 10.457 ( 0.000 -0.000 8.702) 8.702 10.476 ( 0.000 0.000 -4.928) 4.928 10.476 ( 0.000 -0.000 -4.928) 4.928 10.476 ( 0.000 0.000 4.928) 4.928 10.476 ( 0.000 0.000 4.928) 4.928 10.558 ( 0.000 -0.000 -5.556) 5.556 10.558 ( 0.000 -0.000 5.556) 5.556 12.445 ( -0.000 0.000 -2.111) 2.111 12.445 ( 0.000 -0.000 -2.111) 2.111 12.445 ( 0.000 0.000 2.111) 2.111 12.445 ( -0.000 0.000 2.111) 2.111 12.913 ( 0.000 -0.000 -4.211) 4.211 12.913 ( -0.000 -0.000 4.211) 4.211 13.163 ( 0.000 0.000 -13.341) 13.341 13.163 ( 0.000 0.000 -13.341) 13.341 13.163 ( -0.000 -0.000 13.341) 13.341 13.163 ( 0.000 -0.000 13.341) 13.341 13.315 ( -0.000 -0.000 -3.790) 3.790 13.315 ( 0.000 0.000 3.790) 3.790 14.157 ( 0.000 -0.000 -2.335) 2.335 14.157 ( 0.000 -0.000 -2.335) 2.335 14.157 ( 0.000 0.000 2.335) 2.335 14.157 ( -0.000 0.000 2.335) 2.335 14.262 ( 0.000 -0.000 -7.333) 7.333 14.262 ( 0.000 0.000 7.333) 7.333 14.508 ( 0.000 -0.000 -9.669) 9.669 14.508 ( -0.000 0.000 -9.669) 9.669 14.508 ( -0.000 0.000 9.669) 9.669 14.508 ( 0.000 -0.000 9.669) 9.669 15.094 ( 0.000 0.000 -1.066) 1.066 15.094 ( 0.000 -0.000 -1.066) 1.066 15.094 ( -0.000 0.000 1.066) 1.066 15.094 ( -0.000 0.000 1.066) 1.066 15.222 ( 0.000 -0.000 -1.098) 1.098 15.222 ( -0.000 0.000 1.098) 1.098 15.247 ( 0.000 0.000 -1.030) 1.030 15.247 ( 0.000 -0.000 1.030) 1.030 15.441 ( 0.000 -0.000 -5.673) 5.673 15.441 ( 0.000 0.000 -5.673) 5.673 15.441 ( 0.000 -0.000 5.673) 5.673 15.441 ( 0.000 -0.000 5.673) 5.673 15.480 ( 0.000 -0.000 -3.675) 3.675 15.480 ( 0.000 0.000 3.675) 3.675 19.882 ( -0.000 0.000 -3.714) 3.714 19.882 ( 0.000 0.000 -3.714) 3.714 19.882 ( 0.000 0.000 3.714) 3.714 19.882 ( 0.000 0.000 3.714) 3.714 20.029 ( 0.000 -0.000 -3.537) 3.537 20.029 ( -0.000 -0.000 3.537) 3.537 25.419 ( 0.000 0.000 -3.144) 3.144 25.419 ( -0.000 0.000 -3.144) 3.144 25.419 ( 0.000 -0.000 3.144) 3.144 25.419 ( 0.000 0.000 3.144) 3.144 26.239 ( -0.000 0.000 -5.637) 5.637 26.239 ( 0.000 -0.000 5.637) 5.637 27.168 ( 0.000 -0.000 -0.669) 0.669 27.168 ( 0.000 0.000 -0.669) 0.669 27.168 ( 0.000 0.000 0.669) 0.669 27.168 ( 0.000 -0.000 0.669) 0.669 27.400 ( 0.000 -0.000 -0.529) 0.529 27.400 ( 0.000 -0.000 -0.529) 0.529 27.400 ( -0.000 -0.000 0.529) 0.529 27.400 ( 0.000 -0.000 0.529) 0.529 27.444 ( -0.000 -0.000 -1.119) 1.119 27.444 ( 0.000 0.000 -1.119) 1.119 27.444 ( -0.000 0.000 1.119) 1.119 27.444 ( 0.000 0.000 1.119) 1.119 27.666 ( -0.000 0.000 -3.952) 3.952 27.666 ( 0.000 0.000 3.952) 3.952 27.697 ( 0.000 0.000 -1.921) 1.921 27.697 ( 0.000 -0.000 -1.921) 1.921 27.697 ( -0.000 -0.000 1.921) 1.921 27.697 ( -0.000 0.000 1.921) 1.921 27.936 ( 0.000 -0.000 -3.155) 3.155 27.936 ( 0.000 0.000 -3.155) 3.155 27.936 ( 0.000 -0.000 3.155) 3.155 27.936 ( -0.000 0.000 3.155) 3.155 28.029 ( 0.000 0.000 -6.328) 6.328 28.029 ( 0.000 0.000 6.328) 6.328 28.125 ( 0.000 -0.000 -0.639) 0.639 28.125 ( 0.000 0.000 -0.639) 0.639 28.125 ( 0.000 -0.000 0.639) 0.639 28.125 ( 0.000 0.000 0.639) 0.639 28.507 ( 0.000 0.000 -7.271) 7.271 28.507 ( -0.000 -0.000 7.271) 7.271 29.841 ( 0.000 0.000 -3.932) 3.932 29.841 ( -0.000 0.000 3.932) 3.932 30.817 ( 0.000 -0.000 -12.361) 12.361 30.817 ( -0.000 0.000 12.361) 12.361 30.911 ( 0.000 -0.000 -6.988) 6.988 30.911 ( 0.000 -0.000 6.988) 6.988 ======================= Grid point 88 (16/21) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 12.891 7.443 -27.383) 31.167 1.384 ( 12.891 7.443 27.383) 31.167 1.417 ( 19.385 11.192 -21.503) 31.039 1.417 ( 19.385 11.192 21.503) 31.039 1.991 ( -7.433 -4.291 -5.759) 10.335 1.991 ( -7.433 -4.291 5.759) 10.335 2.209 ( 6.547 3.780 -7.128) 10.390 2.209 ( 6.547 3.780 7.128) 10.390 2.355 ( 10.130 5.849 -29.017) 31.286 2.355 ( 10.130 5.849 29.017) 31.286 2.476 ( 1.754 1.013 -1.896) 2.774 2.476 ( 1.754 1.013 1.896) 2.774 2.515 ( 2.715 1.567 -4.064) 5.133 2.515 ( 2.715 1.567 4.064) 5.133 2.575 ( 8.111 4.683 -1.285) 9.453 2.575 ( 8.111 4.683 1.285) 9.453 2.759 ( -3.121 -1.802 -3.358) 4.926 2.759 ( -3.121 -1.802 3.358) 4.926 2.816 ( 2.049 1.183 -4.502) 5.085 2.816 ( 2.049 1.183 4.502) 5.085 2.886 ( 0.341 0.197 -0.967) 1.044 2.886 ( 0.341 0.197 0.967) 1.044 3.009 ( -9.462 -5.463 -2.032) 11.113 3.009 ( -9.462 -5.463 2.032) 11.113 3.066 ( -1.338 -0.773 -2.552) 2.983 3.066 ( -1.338 -0.773 2.552) 2.983 3.092 ( -7.720 -4.457 -1.700) 9.075 3.092 ( -7.720 -4.457 1.700) 9.075 3.198 ( -4.506 -2.601 -7.031) 8.746 3.198 ( -4.506 -2.601 7.031) 8.746 3.265 ( 1.478 0.853 -7.483) 7.675 3.265 ( 1.478 0.853 7.483) 7.675 3.356 ( 3.748 2.164 -1.577) 4.606 3.356 ( 3.748 2.164 1.577) 4.606 3.373 ( 3.577 2.065 -1.360) 4.348 3.373 ( 3.577 2.065 1.360) 4.348 3.431 ( 0.678 0.391 -1.219) 1.448 3.431 ( 0.678 0.391 1.219) 1.448 3.488 ( 2.699 1.558 -3.820) 4.930 3.488 ( 2.699 1.558 3.820) 4.930 3.583 ( -1.861 -1.074 -1.278) 2.500 3.583 ( -1.861 -1.074 1.278) 2.500 3.649 ( -0.418 -0.242 -0.037) 0.485 3.649 ( -0.418 -0.242 0.037) 0.485 3.660 ( 0.840 0.485 -0.500) 1.092 3.660 ( 0.840 0.485 0.500) 1.092 3.763 ( -2.036 -1.175 -2.243) 3.249 3.763 ( -2.036 -1.175 2.243) 3.249 3.769 ( -0.833 -0.481 -2.993) 3.144 3.769 ( -0.833 -0.481 2.993) 3.144 3.881 ( 7.950 4.590 -5.667) 10.788 3.881 ( 7.950 4.590 5.667) 10.788 4.037 ( 0.879 0.507 -4.096) 4.220 4.037 ( 0.879 0.507 4.096) 4.220 4.137 ( 2.005 1.158 -5.378) 5.855 4.137 ( 2.005 1.158 5.378) 5.855 4.163 ( 2.818 1.627 -5.837) 6.683 4.163 ( 2.818 1.627 5.837) 6.683 4.246 ( -3.773 -2.178 -6.025) 7.435 4.246 ( -3.773 -2.178 6.025) 7.435 4.295 ( -0.017 -0.010 -12.112) 12.112 4.295 ( -0.017 -0.010 12.112) 12.112 4.369 ( -0.266 -0.154 -2.485) 2.504 4.369 ( -0.266 -0.154 2.485) 2.504 4.429 ( -1.690 -0.976 -5.014) 5.381 4.429 ( -1.690 -0.976 5.014) 5.381 4.496 ( 0.923 0.533 -12.007) 12.054 4.496 ( 0.923 0.533 12.007) 12.054 4.537 ( -2.970 -1.715 -8.524) 9.188 4.537 ( -2.970 -1.715 8.524) 9.188 4.751 ( -2.620 -1.512 -3.182) 4.390 4.751 ( -2.620 -1.512 3.182) 4.390 4.808 ( -2.397 -1.384 -3.835) 4.729 4.808 ( -2.397 -1.384 3.835) 4.729 4.896 ( 5.803 3.350 -5.199) 8.481 4.896 ( 5.803 3.350 5.199) 8.481 4.955 ( -7.689 -4.439 -0.773) 8.912 4.955 ( -7.689 -4.439 0.773) 8.912 5.010 ( -10.191 -5.884 -7.932) 14.191 5.010 ( -10.191 -5.884 7.932) 14.191 5.189 ( -6.490 -3.747 -3.710) 8.362 5.189 ( -6.490 -3.747 3.710) 8.362 5.310 ( -5.734 -3.311 -4.409) 7.955 5.310 ( -5.734 -3.311 4.409) 7.955 5.391 ( -0.036 -0.021 -5.472) 5.472 5.391 ( -0.036 -0.021 5.472) 5.472 5.514 ( 1.802 1.041 -4.189) 4.678 5.514 ( 1.802 1.041 4.189) 4.678 5.534 ( 2.645 1.527 -1.504) 3.404 5.534 ( 2.645 1.527 1.504) 3.404 5.611 ( -4.561 -2.633 -7.057) 8.806 5.611 ( -4.561 -2.633 7.057) 8.806 5.686 ( -1.904 -1.099 -0.635) 2.288 5.686 ( -1.904 -1.099 0.635) 2.288 5.912 ( -4.986 -2.878 -3.600) 6.790 5.912 ( -4.986 -2.878 3.600) 6.790 5.977 ( -0.807 -0.466 -1.267) 1.573 5.977 ( -0.807 -0.466 1.267) 1.573 6.048 ( 1.640 0.947 -1.869) 2.661 6.048 ( 1.640 0.947 1.869) 2.661 6.211 ( 3.701 2.137 -3.461) 5.500 6.211 ( 3.701 2.137 3.461) 5.500 6.242 ( 0.608 0.351 -1.971) 2.092 6.242 ( 0.608 0.351 1.971) 2.092 6.333 ( 5.061 2.922 -4.311) 7.262 6.333 ( 5.061 2.922 4.311) 7.262 6.338 ( 5.369 3.100 -9.882) 11.666 6.338 ( 5.369 3.100 9.882) 11.666 6.366 ( 4.608 2.661 -0.333) 5.331 6.366 ( 4.608 2.661 0.333) 5.331 6.615 ( -3.856 -2.226 -0.165) 4.455 6.615 ( -3.856 -2.226 0.165) 4.455 6.645 ( -0.815 -0.470 -0.860) 1.275 6.645 ( -0.815 -0.470 0.860) 1.275 6.851 ( 1.473 0.850 -1.706) 2.409 6.851 ( 1.473 0.850 1.706) 2.409 6.880 ( 3.775 2.180 -4.336) 6.149 6.880 ( 3.775 2.180 4.336) 6.149 7.392 ( -12.242 -7.068 -3.911) 14.667 7.392 ( -12.242 -7.068 3.911) 14.667 7.711 ( -0.826 -0.477 -7.196) 7.259 7.711 ( -0.826 -0.477 7.196) 7.259 7.888 ( -5.473 -3.160 -16.503) 17.672 7.888 ( -5.473 -3.160 16.503) 17.672 8.404 ( -2.971 -1.715 -7.868) 8.583 8.404 ( -2.971 -1.715 7.868) 8.583 8.527 ( 10.757 6.210 -14.209) 18.872 8.527 ( 10.757 6.210 14.209) 18.872 8.582 ( 4.950 2.858 -7.840) 9.702 8.582 ( 4.950 2.858 7.840) 9.702 8.903 ( 0.797 0.460 -1.555) 1.807 8.903 ( 0.797 0.460 1.555) 1.807 8.931 ( 0.796 0.460 -15.506) 15.533 8.931 ( 0.796 0.460 15.506) 15.533 8.947 ( 3.044 1.758 -2.996) 4.618 8.947 ( 3.044 1.758 2.996) 4.618 9.181 ( -4.541 -2.622 -5.315) 7.466 9.181 ( -4.541 -2.622 5.315) 7.466 9.540 ( 1.666 0.962 -1.356) 2.354 9.540 ( 1.666 0.962 1.356) 2.354 9.563 ( 4.559 2.632 -2.431) 5.798 9.563 ( 4.559 2.632 2.431) 5.798 10.292 ( -12.834 -7.410 -0.206) 14.820 10.292 ( -12.834 -7.410 0.206) 14.820 10.401 ( -3.101 -1.791 -0.005) 3.581 10.401 ( -3.101 -1.791 0.005) 3.581 10.536 ( 0.242 0.139 -1.017) 1.054 10.536 ( 0.242 0.139 1.017) 1.054 10.630 ( 7.340 4.238 -3.973) 9.361 10.630 ( 7.340 4.238 3.973) 9.361 12.438 ( -0.690 -0.399 -2.939) 3.045 12.438 ( -0.690 -0.399 2.939) 3.045 12.448 ( 0.336 0.194 -2.659) 2.687 12.448 ( 0.336 0.194 2.659) 2.687 12.845 ( -4.478 -2.585 -5.606) 7.627 12.845 ( -4.478 -2.585 5.606) 7.627 13.160 ( -0.740 -0.427 -13.756) 13.783 13.160 ( -0.740 -0.427 13.756) 13.783 13.217 ( 0.904 0.522 -3.864) 4.003 13.217 ( 0.904 0.522 3.864) 4.003 13.272 ( 0.332 0.192 -0.321) 0.500 13.272 ( 0.332 0.192 0.321) 0.500 14.157 ( 0.089 0.052 -1.942) 1.945 14.157 ( 0.089 0.052 1.942) 1.945 14.188 ( 2.538 1.466 -1.325) 3.217 14.188 ( 2.538 1.466 1.325) 3.217 14.256 ( -0.780 -0.450 -4.177) 4.273 14.256 ( -0.780 -0.450 4.177) 4.273 14.437 ( -5.282 -3.049 -10.386) 12.044 14.437 ( -5.282 -3.049 10.386) 12.044 14.491 ( -1.148 -0.663 -8.933) 9.031 14.491 ( -1.148 -0.663 8.933) 9.031 14.978 ( -5.458 -3.151 -10.148) 11.946 14.978 ( -5.458 -3.151 10.148) 11.946 15.107 ( 1.024 0.591 -0.590) 1.321 15.107 ( 1.024 0.591 0.590) 1.321 15.226 ( -0.588 -0.340 -0.944) 1.163 15.226 ( -0.588 -0.340 0.944) 1.163 15.263 ( 0.091 0.053 -3.027) 3.029 15.263 ( 0.091 0.053 3.027) 3.029 15.384 ( -2.579 -1.489 -2.933) 4.180 15.384 ( -2.579 -1.489 2.933) 4.180 15.495 ( 3.729 2.153 -4.080) 5.932 15.495 ( 3.729 2.153 4.080) 5.932 15.531 ( 2.410 1.391 -5.305) 5.990 15.531 ( 2.410 1.391 5.305) 5.990 19.819 ( -3.776 -2.180 -5.204) 6.789 19.819 ( -3.776 -2.180 5.204) 6.789 19.896 ( 1.208 0.697 -3.408) 3.682 19.896 ( 1.208 0.697 3.408) 3.682 20.044 ( 0.451 0.260 -3.190) 3.232 20.044 ( 0.451 0.260 3.190) 3.232 25.395 ( -2.159 -1.247 -3.004) 3.904 25.395 ( -2.159 -1.247 3.004) 3.904 25.445 ( 2.132 1.231 -1.979) 3.158 25.445 ( 2.132 1.231 1.979) 3.158 26.008 ( -12.681 -7.321 -10.517) 18.028 26.008 ( -12.681 -7.321 10.517) 18.028 27.185 ( 1.554 0.897 -1.192) 2.154 27.185 ( 1.554 0.897 1.192) 2.154 27.216 ( 2.560 1.478 -0.094) 2.957 27.216 ( 2.560 1.478 0.094) 2.957 27.362 ( -3.498 -2.019 -1.082) 4.181 27.362 ( -3.498 -2.019 1.082) 4.181 27.402 ( 0.679 0.392 -1.806) 1.969 27.402 ( 0.679 0.392 1.806) 1.969 27.452 ( 1.498 0.865 -2.538) 3.071 27.452 ( 1.498 0.865 2.538) 3.071 27.573 ( 5.315 3.069 -0.189) 6.141 27.573 ( 5.315 3.069 0.189) 6.141 27.650 ( -1.286 -0.743 -2.402) 2.824 27.650 ( -1.286 -0.743 2.402) 2.824 27.745 ( 2.164 1.249 -0.401) 2.530 27.745 ( 2.164 1.249 0.401) 2.530 27.791 ( 6.842 3.950 -1.424) 8.027 27.791 ( 6.842 3.950 1.424) 8.027 27.910 ( -0.116 -0.067 -0.024) 0.136 27.910 ( -0.116 -0.067 0.024) 0.136 27.964 ( 2.130 1.230 -2.715) 3.663 27.964 ( 2.130 1.230 2.715) 3.663 28.047 ( 1.576 0.910 -2.507) 3.098 28.047 ( 1.576 0.910 2.507) 3.098 28.141 ( 1.354 0.782 -0.346) 1.601 28.141 ( 1.354 0.782 0.346) 1.601 28.170 ( 2.711 1.565 -0.128) 3.133 28.170 ( 2.711 1.565 0.128) 3.133 28.474 ( -2.811 -1.623 -6.938) 7.659 28.474 ( -2.811 -1.623 6.938) 7.659 29.925 ( 6.809 3.931 -5.418) 9.548 29.925 ( 6.809 3.931 5.418) 9.548 30.740 ( -6.181 -3.569 -12.917) 14.758 30.740 ( -6.181 -3.569 12.917) 14.758 30.855 ( -4.738 -2.736 -7.642) 9.398 30.855 ( -4.738 -2.736 7.642) 9.398 ======================= Grid point 90 (17/21) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 34 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 3.666 2.116 -28.305) 28.620 1.569 ( 3.666 2.116 28.305) 28.620 1.858 ( -2.380 -1.374 -5.531) 6.176 1.858 ( -2.380 -1.374 5.531) 6.176 1.930 ( 21.884 12.634 -15.441) 29.613 1.930 ( 21.884 12.634 15.441) 29.613 2.343 ( 2.785 1.608 -2.702) 4.200 2.343 ( 2.785 1.608 2.702) 4.200 2.432 ( -1.276 -0.737 -0.701) 1.632 2.432 ( -1.276 -0.737 0.701) 1.632 2.466 ( -1.523 -0.879 -1.082) 2.064 2.466 ( -1.523 -0.879 1.082) 2.064 2.675 ( 2.552 1.473 -4.530) 5.404 2.675 ( 2.552 1.473 4.530) 5.404 2.679 ( -4.709 -2.719 -4.817) 7.265 2.679 ( -4.709 -2.719 4.817) 7.265 2.750 ( 7.178 4.144 -6.987) 10.840 2.750 ( 7.178 4.144 6.987) 10.840 2.794 ( -3.516 -2.030 -0.590) 4.102 2.794 ( -3.516 -2.030 0.590) 4.102 2.865 ( -2.890 -1.669 -0.469) 3.370 2.865 ( -2.890 -1.669 0.469) 3.370 2.874 ( -6.336 -3.658 -1.594) 7.488 2.874 ( -6.336 -3.658 1.594) 7.488 3.050 ( 5.352 3.090 -11.208) 12.799 3.050 ( 5.352 3.090 11.208) 12.799 3.063 ( 3.448 1.991 -6.152) 7.328 3.063 ( 3.448 1.991 6.152) 7.328 3.248 ( 11.892 6.866 -3.489) 14.168 3.248 ( 11.892 6.866 3.489) 14.168 3.292 ( 1.127 0.651 -7.114) 7.232 3.292 ( 1.127 0.651 7.114) 7.232 3.381 ( -2.091 -1.207 -3.853) 4.547 3.381 ( -2.091 -1.207 3.853) 4.547 3.414 ( 3.446 1.989 -2.771) 4.848 3.414 ( 3.446 1.989 2.771) 4.848 3.472 ( 2.283 1.318 -2.563) 3.677 3.472 ( 2.283 1.318 2.563) 3.677 3.507 ( 0.039 0.023 -2.026) 2.027 3.507 ( 0.039 0.023 2.026) 2.027 3.588 ( 2.801 1.617 -1.518) 3.573 3.588 ( 2.801 1.617 1.518) 3.573 3.658 ( 0.672 0.388 -1.032) 1.291 3.658 ( 0.672 0.388 1.032) 1.291 3.691 ( 1.664 0.961 -0.291) 1.943 3.691 ( 1.664 0.961 0.291) 1.943 3.734 ( -0.617 -0.356 -0.151) 0.728 3.734 ( -0.617 -0.356 0.151) 0.728 3.786 ( 2.268 1.310 -0.740) 2.722 3.786 ( 2.268 1.310 0.740) 2.722 4.030 ( 0.164 0.095 -0.514) 0.548 4.030 ( 0.164 0.095 0.514) 0.548 4.059 ( 1.636 0.944 -4.049) 4.468 4.059 ( 1.636 0.944 4.049) 4.468 4.080 ( -3.818 -2.204 -1.532) 4.667 4.080 ( -3.818 -2.204 1.532) 4.667 4.165 ( 0.611 0.353 -3.106) 3.185 4.165 ( 0.611 0.353 3.106) 3.185 4.250 ( 0.977 0.564 -5.266) 5.385 4.250 ( 0.977 0.564 5.266) 5.385 4.286 ( -1.556 -0.898 -7.348) 7.564 4.286 ( -1.556 -0.898 7.348) 7.564 4.359 ( -2.375 -1.371 -0.895) 2.885 4.359 ( -2.375 -1.371 0.895) 2.885 4.421 ( -1.061 -0.612 -1.313) 1.795 4.421 ( -1.061 -0.612 1.313) 1.795 4.453 ( -1.128 -0.651 -0.482) 1.389 4.453 ( -1.128 -0.651 0.482) 1.389 4.522 ( 1.869 1.079 -5.053) 5.494 4.522 ( 1.869 1.079 5.053) 5.494 4.636 ( -8.356 -4.824 -3.707) 10.337 4.636 ( -8.356 -4.824 3.707) 10.337 4.743 ( -3.500 -2.021 -5.775) 7.049 4.743 ( -3.500 -2.021 5.775) 7.049 4.797 ( -3.376 -1.949 -1.910) 4.341 4.797 ( -3.376 -1.949 1.910) 4.341 4.840 ( -3.670 -2.119 -3.622) 5.575 4.840 ( -3.670 -2.119 3.622) 5.575 4.894 ( -6.399 -3.695 -4.128) 8.464 4.894 ( -6.399 -3.695 4.128) 8.464 5.110 ( 0.046 0.027 -6.023) 6.023 5.110 ( 0.046 0.027 6.023) 6.023 5.223 ( -1.618 -0.934 -5.474) 5.784 5.223 ( -1.618 -0.934 5.474) 5.784 5.368 ( -4.530 -2.615 -4.459) 6.873 5.368 ( -4.530 -2.615 4.459) 6.873 5.501 ( -1.199 -0.692 -4.605) 4.809 5.501 ( -1.199 -0.692 4.605) 4.809 5.522 ( -1.090 -0.629 -6.774) 6.890 5.522 ( -1.090 -0.629 6.774) 6.890 5.591 ( 1.725 0.996 -5.830) 6.161 5.591 ( 1.725 0.996 5.830) 6.161 5.651 ( -1.472 -0.850 -5.189) 5.460 5.651 ( -1.472 -0.850 5.189) 5.460 5.797 ( -3.276 -1.891 -6.248) 7.303 5.797 ( -3.276 -1.891 6.248) 7.303 5.927 ( -3.454 -1.994 -0.444) 4.013 5.927 ( -3.454 -1.994 0.444) 4.013 6.109 ( 3.321 1.917 -2.420) 4.534 6.109 ( 3.321 1.917 2.420) 4.534 6.223 ( -1.343 -0.776 -0.615) 1.669 6.223 ( -1.343 -0.776 0.615) 1.669 6.277 ( 1.668 0.963 -5.786) 6.098 6.277 ( 1.668 0.963 5.786) 6.098 6.392 ( -0.118 -0.068 -5.612) 5.614 6.392 ( -0.118 -0.068 5.612) 5.614 6.425 ( 1.425 0.822 -6.751) 6.949 6.425 ( 1.425 0.822 6.751) 6.949 6.475 ( 3.313 1.913 -5.479) 6.682 6.475 ( 3.313 1.913 5.479) 6.682 6.544 ( -0.021 -0.012 -0.328) 0.328 6.544 ( -0.021 -0.012 0.328) 0.328 6.617 ( -1.589 -0.917 -1.516) 2.379 6.617 ( -1.589 -0.917 1.516) 2.379 6.905 ( 2.796 1.614 -1.679) 3.639 6.905 ( 2.796 1.614 1.679) 3.639 6.970 ( 2.871 1.658 -2.568) 4.194 6.970 ( 2.871 1.658 2.568) 4.194 7.240 ( -2.199 -1.270 -9.145) 9.491 7.240 ( -2.199 -1.270 9.145) 9.491 7.690 ( -0.912 -0.526 -3.157) 3.328 7.690 ( -0.912 -0.526 3.157) 3.328 7.726 ( -6.206 -3.583 -16.000) 17.532 7.726 ( -6.206 -3.583 16.000) 17.532 8.391 ( 2.308 1.332 -9.640) 10.002 8.391 ( 2.308 1.332 9.640) 10.002 8.608 ( -2.547 -1.470 -2.366) 3.775 8.608 ( -2.547 -1.470 2.366) 3.775 8.720 ( 5.614 3.241 -18.968) 20.045 8.720 ( 5.614 3.241 18.968) 20.045 8.891 ( -2.774 -1.602 -10.460) 10.940 8.891 ( -2.774 -1.602 10.460) 10.940 8.984 ( 4.989 2.881 -3.213) 6.596 8.984 ( 4.989 2.881 3.213) 6.596 9.013 ( 1.793 1.035 -9.078) 9.311 9.013 ( 1.793 1.035 9.078) 9.311 9.124 ( -0.318 -0.184 -0.487) 0.610 9.124 ( -0.318 -0.184 0.487) 0.610 9.529 ( -3.198 -1.846 -3.916) 5.382 9.529 ( -3.198 -1.846 3.916) 5.382 9.679 ( 4.910 2.835 -2.071) 6.036 9.679 ( 4.910 2.835 2.071) 6.036 9.975 ( -11.845 -6.839 -2.543) 13.912 9.975 ( -11.845 -6.839 2.543) 13.912 10.359 ( -1.103 -0.637 -2.915) 3.181 10.359 ( -1.103 -0.637 2.915) 3.181 10.544 ( 0.387 0.224 -0.756) 0.878 10.544 ( 0.387 0.224 0.756) 0.878 10.786 ( 5.518 3.186 -4.666) 7.898 10.786 ( 5.518 3.186 4.666) 7.898 12.413 ( -1.341 -0.774 -4.352) 4.619 12.413 ( -1.341 -0.774 4.352) 4.619 12.458 ( 0.434 0.251 -3.382) 3.419 12.458 ( 0.434 0.251 3.382) 3.419 12.758 ( -2.728 -1.575 -6.219) 6.971 12.758 ( -2.728 -1.575 6.219) 6.971 13.110 ( -2.492 -1.439 -14.338) 14.623 13.110 ( -2.492 -1.439 14.338) 14.623 13.209 ( 0.356 0.206 -12.657) 12.663 13.209 ( 0.356 0.206 12.657) 12.663 13.353 ( 3.501 2.021 -10.482) 11.235 13.353 ( 3.501 2.021 10.482) 11.235 14.161 ( 0.122 0.070 -1.759) 1.765 14.161 ( 0.122 0.070 1.759) 1.765 14.225 ( -1.440 -0.832 -0.878) 1.881 14.225 ( -1.440 -0.832 0.878) 1.881 14.250 ( 1.747 1.009 -3.241) 3.818 14.250 ( 1.747 1.009 3.241) 3.818 14.334 ( -2.335 -1.348 -8.660) 9.070 14.334 ( -2.335 -1.348 8.660) 9.070 14.467 ( -1.000 -0.577 -7.942) 8.025 14.467 ( -1.000 -0.577 7.942) 8.025 14.889 ( -2.707 -1.563 -19.204) 19.456 14.889 ( -2.707 -1.563 19.204) 19.456 15.132 ( 0.928 0.536 -0.004) 1.071 15.132 ( 0.928 0.536 0.004) 1.071 15.220 ( 0.193 0.111 -0.240) 0.327 15.220 ( 0.193 0.111 0.240) 0.327 15.251 ( -0.682 -0.394 -0.843) 1.154 15.251 ( -0.682 -0.394 0.843) 1.154 15.344 ( -1.039 -0.600 -1.351) 1.807 15.344 ( -1.039 -0.600 1.351) 1.807 15.568 ( 1.476 0.852 -0.222) 1.718 15.568 ( 1.476 0.852 0.222) 1.718 15.573 ( 2.086 1.204 -1.231) 2.704 15.573 ( 2.086 1.204 1.231) 2.704 19.752 ( -1.984 -1.146 -7.798) 8.127 19.752 ( -1.984 -1.146 7.798) 8.127 19.931 ( 1.680 0.970 -2.774) 3.384 19.931 ( 1.680 0.970 2.774) 3.384 20.039 ( -0.694 -0.400 -3.135) 3.236 20.039 ( -0.694 -0.400 3.135) 3.236 25.335 ( -2.568 -1.482 -2.431) 3.834 25.335 ( -2.568 -1.482 2.431) 3.834 25.504 ( 2.665 1.539 -1.196) 3.301 25.504 ( 2.665 1.539 1.196) 3.301 25.804 ( -5.517 -3.185 -7.810) 10.078 25.804 ( -5.517 -3.185 7.810) 10.078 27.215 ( 0.506 0.292 -2.080) 2.161 27.215 ( 0.506 0.292 2.080) 2.161 27.273 ( -0.110 -0.064 -0.385) 0.406 27.273 ( -0.110 -0.064 0.385) 0.406 27.310 ( 2.537 1.465 -1.112) 3.133 27.310 ( 2.537 1.465 1.112) 3.133 27.427 ( 1.156 0.667 -1.842) 2.275 27.427 ( 1.156 0.667 1.842) 2.275 27.485 ( 1.015 0.586 -4.870) 5.009 27.485 ( 1.015 0.586 4.870) 5.009 27.565 ( -3.830 -2.211 -0.122) 4.425 27.565 ( -3.830 -2.211 0.122) 4.425 27.668 ( -0.629 -0.363 -3.488) 3.563 27.668 ( -0.629 -0.363 3.488) 3.563 27.758 ( 2.643 1.526 -1.897) 3.594 27.758 ( 2.643 1.526 1.897) 3.594 27.918 ( 3.496 2.018 -1.460) 4.292 27.918 ( 3.496 2.018 1.460) 4.292 27.942 ( 0.422 0.244 -4.903) 4.927 27.942 ( 0.422 0.244 4.903) 4.927 28.005 ( 1.632 0.942 -3.053) 3.588 28.005 ( 1.632 0.942 3.053) 3.588 28.115 ( 3.897 2.250 -0.652) 4.547 28.115 ( 3.897 2.250 0.652) 4.547 28.181 ( 1.895 1.094 -0.035) 2.188 28.181 ( 1.895 1.094 0.035) 2.188 28.216 ( 1.515 0.875 -1.647) 2.402 28.216 ( 1.515 0.875 1.647) 2.402 28.394 ( -3.765 -2.174 -6.166) 7.545 28.394 ( -3.765 -2.174 6.166) 7.545 30.116 ( 9.312 5.376 -15.048) 18.495 30.116 ( 9.312 5.376 15.048) 18.495 30.572 ( -8.010 -4.624 -13.535) 16.393 30.572 ( -8.010 -4.624 13.535) 16.393 30.720 ( -6.171 -3.563 -9.378) 11.778 30.720 ( -6.171 -3.563 9.378) 11.778 ======================= Grid point 92 (18/21) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 0.000 -19.935) 19.935 1.604 ( -0.000 -0.000 19.935) 19.935 1.825 ( 0.000 0.000 -0.672) 0.672 1.825 ( 0.000 0.000 0.672) 0.672 2.290 ( 0.000 0.000 -1.073) 1.073 2.290 ( -0.000 -0.000 1.073) 1.073 2.380 ( -0.000 -0.000 -3.073) 3.073 2.380 ( -0.000 -0.000 3.073) 3.073 2.395 ( 0.000 0.000 -3.462) 3.462 2.395 ( 0.000 0.000 3.462) 3.462 2.480 ( -0.000 -0.000 -8.699) 8.699 2.480 ( -0.000 -0.000 8.699) 8.699 2.505 ( 0.000 0.000 -0.651) 0.651 2.505 ( 0.000 0.000 0.651) 0.651 2.695 ( 0.000 0.000 -0.389) 0.389 2.695 ( 0.000 0.000 0.389) 0.389 2.726 ( 0.000 0.000 -1.817) 1.817 2.726 ( -0.000 -0.000 1.817) 1.817 2.755 ( 0.000 0.000 -1.084) 1.084 2.755 ( 0.000 0.000 1.084) 1.084 2.820 ( 0.000 0.000 -1.926) 1.926 2.820 ( 0.000 0.000 1.926) 1.926 2.882 ( 0.000 0.000 -1.565) 1.565 2.882 ( 0.000 0.000 1.565) 1.565 2.996 ( 0.000 0.000 -4.250) 4.250 2.996 ( 0.000 0.000 4.250) 4.250 3.225 ( 0.000 0.000 -8.346) 8.346 3.225 ( 0.000 0.000 8.346) 8.346 3.316 ( 0.000 0.000 -4.640) 4.640 3.316 ( 0.000 0.000 4.640) 4.640 3.332 ( 0.000 0.000 -6.492) 6.492 3.332 ( 0.000 0.000 6.492) 6.492 3.457 ( 0.000 0.000 -1.852) 1.852 3.457 ( 0.000 0.000 1.852) 1.852 3.490 ( -0.000 -0.000 -1.152) 1.152 3.490 ( -0.000 -0.000 1.152) 1.152 3.509 ( 0.000 0.000 -2.977) 2.977 3.509 ( 0.000 0.000 2.977) 2.977 3.543 ( 0.000 0.000 -0.719) 0.719 3.543 ( -0.000 -0.000 0.719) 0.719 3.617 ( 0.000 0.000 -3.024) 3.024 3.617 ( 0.000 0.000 3.024) 3.024 3.696 ( 0.000 0.000 -2.694) 2.694 3.696 ( 0.000 0.000 2.694) 2.694 3.724 ( 0.000 0.000 -1.020) 1.020 3.724 ( 0.000 0.000 1.020) 1.020 3.757 ( 0.000 0.000 -2.657) 2.657 3.757 ( 0.000 0.000 2.657) 2.657 3.849 ( -0.000 -0.000 -6.547) 6.547 3.849 ( -0.000 -0.000 6.547) 6.547 3.912 ( 0.000 0.000 -0.039) 0.039 3.912 ( 0.000 0.000 0.039) 0.039 4.079 ( 0.000 0.000 -1.631) 1.631 4.079 ( -0.000 -0.000 1.631) 1.631 4.104 ( 0.000 0.000 -6.747) 6.747 4.104 ( 0.000 0.000 6.747) 6.747 4.175 ( 0.000 0.000 -2.842) 2.842 4.175 ( 0.000 0.000 2.842) 2.842 4.188 ( 0.000 0.000 -4.851) 4.851 4.188 ( 0.000 0.000 4.851) 4.851 4.218 ( 0.000 0.000 -4.977) 4.977 4.218 ( 0.000 0.000 4.977) 4.977 4.287 ( 0.000 0.000 -8.349) 8.349 4.287 ( 0.000 0.000 8.349) 8.349 4.414 ( 0.000 0.000 -1.883) 1.883 4.414 ( 0.000 0.000 1.883) 1.883 4.472 ( 0.000 0.000 -4.725) 4.725 4.472 ( 0.000 0.000 4.725) 4.725 4.478 ( 0.000 0.000 -8.842) 8.842 4.478 ( 0.000 0.000 8.842) 8.842 4.659 ( 0.000 0.000 -6.832) 6.832 4.659 ( 0.000 0.000 6.832) 6.832 4.691 ( -0.000 -0.000 -5.234) 5.234 4.691 ( 0.000 0.000 5.234) 5.234 4.726 ( 0.000 0.000 -8.929) 8.929 4.726 ( 0.000 0.000 8.929) 8.929 4.791 ( 0.000 0.000 -3.878) 3.878 4.791 ( 0.000 0.000 3.878) 3.878 4.807 ( 0.000 0.000 -2.425) 2.425 4.807 ( 0.000 0.000 2.425) 2.425 5.135 ( -0.000 -0.000 -1.303) 1.303 5.135 ( 0.000 0.000 1.303) 1.303 5.184 ( 0.000 0.000 -9.111) 9.111 5.184 ( 0.000 0.000 9.111) 9.111 5.269 ( 0.000 0.000 -0.464) 0.464 5.269 ( 0.000 0.000 0.464) 0.464 5.484 ( 0.000 0.000 -2.801) 2.801 5.484 ( 0.000 0.000 2.801) 2.801 5.535 ( -0.000 -0.000 -2.818) 2.818 5.535 ( 0.000 0.000 2.818) 2.818 5.601 ( 0.000 0.000 -10.895) 10.895 5.601 ( 0.000 0.000 10.895) 10.895 5.652 ( 0.000 0.000 -6.280) 6.280 5.652 ( 0.000 0.000 6.280) 6.280 5.765 ( 0.000 0.000 -4.169) 4.169 5.765 ( 0.000 0.000 4.169) 4.169 5.874 ( 0.000 0.000 -0.117) 0.117 5.874 ( 0.000 0.000 0.117) 0.117 6.171 ( 0.000 0.000 -1.244) 1.244 6.171 ( -0.000 -0.000 1.244) 1.244 6.188 ( 0.000 0.000 -1.034) 1.034 6.188 ( 0.000 0.000 1.034) 1.034 6.274 ( 0.000 0.000 -4.953) 4.953 6.274 ( 0.000 0.000 4.953) 4.953 6.404 ( 0.000 0.000 -6.975) 6.975 6.404 ( 0.000 0.000 6.975) 6.975 6.434 ( 0.000 0.000 -0.876) 0.876 6.434 ( 0.000 0.000 0.876) 0.876 6.505 ( 0.000 0.000 -9.740) 9.740 6.505 ( 0.000 0.000 9.740) 9.740 6.545 ( 0.000 0.000 -5.055) 5.055 6.545 ( 0.000 0.000 5.055) 5.055 6.609 ( 0.000 0.000 -0.827) 0.827 6.609 ( 0.000 0.000 0.827) 0.827 6.944 ( 0.000 0.000 -2.875) 2.875 6.944 ( 0.000 0.000 2.875) 2.875 6.998 ( 0.000 0.000 -1.007) 1.007 6.998 ( 0.000 0.000 1.007) 1.007 7.226 ( 0.000 0.000 -11.059) 11.059 7.226 ( 0.000 0.000 11.059) 11.059 7.643 ( 0.000 0.000 -14.206) 14.206 7.643 ( 0.000 0.000 14.206) 14.206 7.687 ( 0.000 0.000 -0.505) 0.505 7.687 ( 0.000 0.000 0.505) 0.505 8.471 ( 0.000 0.000 -2.979) 2.979 8.471 ( 0.000 0.000 2.979) 2.979 8.522 ( -0.000 -0.000 -10.558) 10.558 8.522 ( 0.000 0.000 10.558) 10.558 8.787 ( 0.000 0.000 -17.605) 17.605 8.787 ( 0.000 0.000 17.605) 17.605 8.859 ( 0.000 0.000 -1.805) 1.805 8.859 ( 0.000 0.000 1.805) 1.805 9.023 ( 0.000 0.000 -6.959) 6.959 9.023 ( 0.000 0.000 6.959) 6.959 9.089 ( 0.000 0.000 -0.538) 0.538 9.089 ( -0.000 -0.000 0.538) 0.538 9.098 ( 0.000 0.000 -1.515) 1.515 9.098 ( -0.000 -0.000 1.515) 1.515 9.458 ( 0.000 0.000 -10.462) 10.462 9.458 ( 0.000 0.000 10.462) 10.462 9.758 ( 0.000 0.000 -3.084) 3.084 9.758 ( 0.000 0.000 3.084) 3.084 9.825 ( 0.000 0.000 -10.368) 10.368 9.825 ( 0.000 0.000 10.368) 10.368 10.346 ( 0.000 0.000 -3.373) 3.373 10.346 ( 0.000 0.000 3.373) 3.373 10.549 ( 0.000 0.000 -0.524) 0.524 10.549 ( 0.000 0.000 0.524) 0.524 10.852 ( 0.000 0.000 -4.687) 4.687 10.852 ( 0.000 0.000 4.687) 4.687 12.394 ( 0.000 0.000 -4.983) 4.983 12.394 ( 0.000 0.000 4.983) 4.983 12.464 ( 0.000 0.000 -3.641) 3.641 12.464 ( 0.000 0.000 3.641) 3.641 12.727 ( 0.000 0.000 -6.143) 6.143 12.727 ( 0.000 0.000 6.143) 6.143 13.080 ( 0.000 0.000 -15.375) 15.375 13.080 ( 0.000 0.000 15.375) 15.375 13.216 ( 0.000 0.000 -14.159) 14.159 13.216 ( 0.000 0.000 14.159) 14.159 13.395 ( 0.000 0.000 -10.576) 10.576 13.395 ( 0.000 0.000 10.576) 10.576 14.159 ( 0.000 0.000 -7.963) 7.963 14.159 ( 0.000 0.000 7.963) 7.963 14.215 ( 0.000 0.000 -2.897) 2.897 14.215 ( 0.000 0.000 2.897) 2.897 14.244 ( 0.000 0.000 -11.382) 11.382 14.244 ( 0.000 0.000 11.382) 11.382 14.337 ( 0.000 0.000 -3.872) 3.872 14.337 ( 0.000 0.000 3.872) 3.872 14.450 ( 0.000 0.000 -9.143) 9.143 14.450 ( 0.000 0.000 9.143) 9.143 14.856 ( 0.000 0.000 -21.692) 21.692 14.856 ( 0.000 0.000 21.692) 21.692 15.143 ( 0.000 0.000 -0.205) 0.205 15.143 ( 0.000 0.000 0.205) 0.205 15.227 ( 0.000 0.000 -5.117) 5.117 15.227 ( -0.000 -0.000 5.117) 5.117 15.241 ( 0.000 0.000 -4.522) 4.522 15.241 ( 0.000 0.000 4.522) 4.522 15.333 ( 0.000 0.000 -1.532) 1.532 15.333 ( 0.000 0.000 1.532) 1.532 15.579 ( 0.000 0.000 -3.255) 3.255 15.579 ( 0.000 0.000 3.255) 3.255 15.602 ( 0.000 0.000 -1.806) 1.806 15.602 ( 0.000 0.000 1.806) 1.806 19.730 ( 0.000 0.000 -8.727) 8.727 19.730 ( 0.000 0.000 8.727) 8.727 19.956 ( 0.000 0.000 -2.827) 2.827 19.956 ( 0.000 0.000 2.827) 2.827 20.026 ( 0.000 0.000 -3.626) 3.626 20.026 ( 0.000 0.000 3.626) 3.626 25.302 ( 0.000 0.000 -1.918) 1.918 25.302 ( 0.000 0.000 1.918) 1.918 25.541 ( 0.000 0.000 -3.885) 3.885 25.541 ( 0.000 0.000 3.885) 3.885 25.741 ( 0.000 0.000 -4.716) 4.716 25.741 ( 0.000 0.000 4.716) 4.716 27.216 ( 0.000 0.000 -0.703) 0.703 27.216 ( 0.000 0.000 0.703) 0.703 27.256 ( 0.000 0.000 -2.488) 2.488 27.256 ( 0.000 0.000 2.488) 2.488 27.418 ( 0.000 0.000 -0.113) 0.113 27.418 ( 0.000 0.000 0.113) 0.113 27.422 ( 0.000 0.000 -0.113) 0.113 27.422 ( -0.000 -0.000 0.113) 0.113 27.477 ( -0.000 -0.000 -0.519) 0.519 27.477 ( 0.000 0.000 0.519) 0.519 27.500 ( 0.000 0.000 -5.499) 5.499 27.500 ( 0.000 0.000 5.499) 5.499 27.643 ( 0.000 0.000 -5.003) 5.003 27.643 ( 0.000 0.000 5.003) 5.003 27.847 ( -0.000 -0.000 -4.089) 4.089 27.847 ( 0.000 0.000 4.089) 4.089 27.876 ( 0.000 0.000 -8.719) 8.719 27.876 ( -0.000 -0.000 8.719) 8.719 27.979 ( 0.000 0.000 -0.944) 0.944 27.979 ( 0.000 0.000 0.944) 0.944 28.029 ( 0.000 0.000 -3.442) 3.442 28.029 ( 0.000 0.000 3.442) 3.442 28.164 ( 0.000 0.000 -0.186) 0.186 28.164 ( 0.000 0.000 0.186) 0.186 28.209 ( 0.000 0.000 -1.099) 1.099 28.209 ( 0.000 0.000 1.099) 1.099 28.244 ( 0.000 0.000 -2.636) 2.636 28.244 ( 0.000 0.000 2.636) 2.636 28.337 ( 0.000 0.000 -5.763) 5.763 28.337 ( 0.000 0.000 5.763) 5.763 30.280 ( -0.000 -0.000 -19.112) 19.112 30.280 ( 0.000 0.000 19.112) 19.112 30.428 ( 0.000 0.000 -11.411) 11.411 30.428 ( 0.000 0.000 11.411) 11.411 30.636 ( 0.000 0.000 -10.708) 10.708 30.636 ( 0.000 0.000 10.708) 10.708 ======================= Grid point 102 (19/21) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 4.211 7.293 -29.995) 31.154 1.557 ( 4.211 7.293 29.995) 31.154 1.767 ( 12.718 22.028 -15.959) 30.028 1.767 ( 12.718 22.028 15.959) 30.028 1.882 ( -2.899 -5.022 -10.122) 11.666 1.882 ( -2.899 -5.022 10.122) 11.666 2.316 ( 2.471 4.280 -4.273) 6.533 2.316 ( 2.471 4.280 4.273) 6.533 2.463 ( 0.590 1.023 -0.727) 1.387 2.463 ( 0.590 1.023 0.727) 1.387 2.465 ( -0.376 -0.651 -1.187) 1.405 2.465 ( -0.376 -0.651 1.187) 1.405 2.663 ( 0.098 0.170 -4.761) 4.765 2.663 ( 0.098 0.170 4.761) 4.765 2.692 ( 3.502 6.066 -4.735) 8.454 2.692 ( 3.502 6.066 4.735) 8.454 2.709 ( 4.281 7.415 -7.800) 11.583 2.709 ( 4.281 7.415 7.800) 11.583 2.767 ( -5.173 -8.960 -3.500) 10.922 2.767 ( -5.173 -8.960 3.500) 10.922 2.884 ( 0.184 0.318 -2.096) 2.128 2.884 ( 0.184 0.318 2.096) 2.128 2.958 ( 2.356 4.082 -7.583) 8.928 2.958 ( 2.356 4.082 7.583) 8.928 2.995 ( -0.480 -0.831 -3.826) 3.945 2.995 ( -0.480 -0.831 3.826) 3.945 3.076 ( -2.288 -3.963 -6.762) 8.165 3.076 ( -2.288 -3.963 6.762) 8.165 3.210 ( 0.598 1.036 -7.774) 7.865 3.210 ( 0.598 1.036 7.774) 7.865 3.210 ( 2.612 4.524 -4.856) 7.132 3.210 ( 2.612 4.524 4.856) 7.132 3.384 ( 1.002 1.736 -0.810) 2.162 3.384 ( 1.002 1.736 0.810) 2.162 3.413 ( -0.075 -0.129 -4.241) 4.243 3.413 ( -0.075 -0.129 4.241) 4.243 3.494 ( 0.190 0.329 -3.113) 3.136 3.494 ( 0.190 0.329 3.113) 3.136 3.499 ( 2.746 4.756 -2.225) 5.925 3.499 ( 2.746 4.756 2.225) 5.925 3.587 ( 0.719 1.245 -0.660) 1.581 3.587 ( 0.719 1.245 0.660) 1.581 3.651 ( -0.201 -0.347 -0.891) 0.977 3.651 ( -0.201 -0.347 0.891) 0.977 3.683 ( 1.199 2.076 -3.114) 3.930 3.683 ( 1.199 2.076 3.114) 3.930 3.719 ( -0.658 -1.139 -2.352) 2.695 3.719 ( -0.658 -1.139 2.352) 2.695 3.787 ( 1.249 2.163 -3.276) 4.120 3.787 ( 1.249 2.163 3.276) 4.120 4.005 ( 3.143 5.443 -7.602) 9.864 4.005 ( 3.143 5.443 7.602) 9.864 4.057 ( 0.438 0.758 -3.960) 4.056 4.057 ( 0.438 0.758 3.960) 4.056 4.150 ( -1.453 -2.517 -4.941) 5.732 4.150 ( -1.453 -2.517 4.941) 5.732 4.155 ( -1.060 -1.837 -4.927) 5.364 4.155 ( -1.060 -1.837 4.927) 5.364 4.239 ( 2.103 3.643 -10.115) 10.955 4.239 ( 2.103 3.643 10.115) 10.955 4.314 ( -0.743 -1.287 -14.700) 14.775 4.314 ( -0.743 -1.287 14.700) 14.775 4.353 ( -0.825 -1.429 -1.368) 2.143 4.353 ( -0.825 -1.429 1.368) 2.143 4.357 ( -1.121 -1.942 -2.515) 3.369 4.357 ( -1.121 -1.942 2.515) 3.369 4.438 ( -0.890 -1.541 -2.679) 3.216 4.438 ( -0.890 -1.541 2.679) 3.216 4.617 ( 1.622 2.809 -10.155) 10.660 4.617 ( 1.622 2.809 10.155) 10.660 4.653 ( -3.912 -6.775 -4.798) 9.178 4.653 ( -3.912 -6.775 4.798) 9.178 4.784 ( -5.649 -9.784 -0.852) 11.330 4.784 ( -5.649 -9.784 0.852) 11.330 4.784 ( -1.048 -1.815 -1.408) 2.525 4.784 ( -1.048 -1.815 1.408) 2.525 4.839 ( -4.766 -8.255 -9.599) 13.528 4.839 ( -4.766 -8.255 9.599) 13.528 4.960 ( -0.768 -1.330 -6.360) 6.543 4.960 ( -0.768 -1.330 6.360) 6.543 5.136 ( -0.107 -0.186 -6.368) 6.371 5.136 ( -0.107 -0.186 6.368) 6.371 5.278 ( -1.548 -2.682 -9.149) 9.659 5.278 ( -1.548 -2.682 9.149) 9.659 5.351 ( -0.983 -1.702 -5.042) 5.412 5.351 ( -0.983 -1.702 5.042) 5.412 5.448 ( -1.612 -2.792 -3.686) 4.897 5.448 ( -1.612 -2.792 3.686) 4.897 5.516 ( -3.117 -5.399 -0.420) 6.249 5.516 ( -3.117 -5.399 0.420) 6.249 5.601 ( -0.252 -0.437 -1.361) 1.452 5.601 ( -0.252 -0.437 1.361) 1.452 5.676 ( 0.392 0.679 -3.551) 3.636 5.676 ( 0.392 0.679 3.551) 3.636 5.821 ( -2.829 -4.900 -5.922) 8.191 5.821 ( -2.829 -4.900 5.922) 8.191 5.942 ( -1.939 -3.358 -3.176) 5.012 5.942 ( -1.939 -3.358 3.176) 5.012 6.095 ( 2.054 3.558 -3.445) 5.362 6.095 ( 2.054 3.558 3.445) 5.362 6.241 ( 0.792 1.372 -2.455) 2.922 6.241 ( 0.792 1.372 2.455) 2.922 6.300 ( 1.684 2.916 -5.939) 6.827 6.300 ( 1.684 2.916 5.939) 6.827 6.375 ( 1.460 2.528 -0.636) 2.988 6.375 ( 1.460 2.528 0.636) 2.988 6.424 ( 1.571 2.722 -8.420) 8.987 6.424 ( 1.571 2.722 8.420) 8.987 6.426 ( 1.712 2.966 -4.753) 5.858 6.426 ( 1.712 2.966 4.753) 5.858 6.572 ( -1.736 -3.008 -4.962) 6.057 6.572 ( -1.736 -3.008 4.962) 6.057 6.589 ( -1.803 -3.123 -4.047) 5.421 6.589 ( -1.803 -3.123 4.047) 5.421 6.887 ( 1.553 2.690 -1.569) 3.480 6.887 ( 1.553 2.690 1.569) 3.480 6.952 ( 2.356 4.081 -3.672) 5.974 6.952 ( 2.356 4.081 3.672) 5.974 7.267 ( -2.013 -3.487 -8.086) 9.033 7.267 ( -2.013 -3.487 8.086) 9.033 7.694 ( -0.627 -1.085 -4.689) 4.853 7.694 ( -0.627 -1.085 4.689) 4.853 7.769 ( -4.106 -7.112 -16.633) 18.550 7.769 ( -4.106 -7.112 16.633) 18.550 8.382 ( 0.387 0.671 -9.287) 9.319 8.382 ( 0.387 0.671 9.287) 9.319 8.612 ( 1.789 3.098 -2.939) 4.630 8.612 ( 1.789 3.098 2.939) 4.630 8.720 ( 3.212 5.563 -11.445) 13.124 8.720 ( 3.212 5.563 11.445) 13.124 8.874 ( -1.064 -1.842 -5.833) 6.209 8.874 ( -1.064 -1.842 5.833) 6.209 8.954 ( 1.032 1.788 -9.852) 10.066 8.954 ( 1.032 1.788 9.852) 10.066 8.983 ( -0.111 -0.193 -10.009) 10.011 8.983 ( -0.111 -0.193 10.009) 10.011 9.145 ( 0.652 1.130 -1.241) 1.801 9.145 ( 0.652 1.130 1.241) 1.801 9.556 ( -0.829 -1.436 -4.146) 4.466 9.556 ( -0.829 -1.436 4.146) 4.466 9.640 ( 3.082 5.338 -4.128) 7.418 9.640 ( 3.082 5.338 4.128) 7.418 10.095 ( -7.755 -13.432 -4.250) 16.082 10.095 ( -7.755 -13.432 4.250) 16.082 10.255 ( -3.206 -5.552 -6.772) 9.325 10.255 ( -3.206 -5.552 6.772) 9.325 10.651 ( 2.639 4.571 -1.755) 5.563 10.651 ( 2.639 4.571 1.755) 5.563 10.709 ( 3.342 5.789 -5.479) 8.643 10.709 ( 3.342 5.789 5.479) 8.643 12.426 ( -0.490 -0.848 -3.875) 3.997 12.426 ( -0.490 -0.848 3.875) 3.997 12.450 ( 0.009 0.015 -3.361) 3.361 12.450 ( 0.009 0.015 3.361) 3.361 12.777 ( -1.988 -3.443 -6.278) 7.431 12.777 ( -1.988 -3.443 6.278) 7.431 13.158 ( -1.871 -3.241 -12.088) 12.654 13.158 ( -1.871 -3.241 12.088) 12.654 13.162 ( -0.117 -0.202 -14.967) 14.969 13.162 ( -0.117 -0.202 14.967) 14.969 13.344 ( 2.761 4.782 -11.531) 12.785 13.344 ( 2.761 4.782 11.531) 12.785 14.154 ( -0.223 -0.387 -4.951) 4.971 14.154 ( -0.223 -0.387 4.951) 4.971 14.234 ( -0.963 -1.668 -1.020) 2.179 14.234 ( -0.963 -1.668 1.020) 2.179 14.238 ( 1.575 2.729 -3.383) 4.623 14.238 ( 1.575 2.729 3.383) 4.623 14.356 ( -2.050 -3.551 -10.825) 11.576 14.356 ( -2.050 -3.551 10.825) 11.576 14.473 ( -0.498 -0.863 -7.884) 7.947 14.473 ( -0.498 -0.863 7.884) 7.947 14.903 ( -2.174 -3.765 -17.308) 17.846 14.903 ( -2.174 -3.765 17.308) 17.846 15.130 ( 0.810 1.403 -2.125) 2.672 15.130 ( 0.810 1.403 2.125) 2.672 15.208 ( -0.086 -0.149 -4.001) 4.005 15.208 ( -0.086 -0.149 4.001) 4.005 15.291 ( 0.674 1.167 -3.828) 4.058 15.291 ( 0.674 1.167 3.828) 4.058 15.329 ( -1.578 -2.733 -2.054) 3.765 15.329 ( -1.578 -2.733 2.054) 3.765 15.555 ( 1.584 2.743 -4.749) 5.709 15.555 ( 1.584 2.743 4.749) 5.709 15.559 ( 0.744 1.289 -4.746) 4.974 15.559 ( 0.744 1.289 4.746) 4.974 19.765 ( -1.494 -2.588 -7.259) 7.850 19.765 ( -1.494 -2.588 7.259) 7.850 19.922 ( 1.021 1.768 -3.153) 3.756 19.922 ( 1.021 1.768 3.153) 3.756 20.042 ( -0.316 -0.546 -3.144) 3.207 20.042 ( -0.316 -0.546 3.144) 3.207 25.345 ( -1.918 -3.322 -5.237) 6.492 25.345 ( -1.918 -3.322 5.237) 6.492 25.494 ( 1.998 3.460 -3.716) 5.457 25.494 ( 1.998 3.460 3.716) 5.457 25.841 ( -4.316 -7.475 -9.044) 12.502 25.841 ( -4.316 -7.475 9.044) 12.502 27.202 ( 0.706 1.224 -1.264) 1.895 27.202 ( 0.706 1.224 1.264) 1.895 27.262 ( 1.323 2.292 -2.554) 3.677 27.262 ( 1.323 2.292 2.554) 3.677 27.293 ( -1.935 -3.351 -1.140) 4.033 27.293 ( -1.935 -3.351 1.140) 4.033 27.442 ( 0.485 0.840 -2.401) 2.590 27.442 ( 0.485 0.840 2.401) 2.590 27.481 ( 1.220 2.113 -5.355) 5.885 27.481 ( 1.220 2.113 5.355) 5.885 27.591 ( 0.388 0.672 -3.855) 3.932 27.591 ( 0.388 0.672 3.855) 3.932 27.663 ( 0.642 1.113 -3.234) 3.480 27.663 ( 0.642 1.113 3.234) 3.480 27.751 ( -0.999 -1.731 -2.502) 3.202 27.751 ( -0.999 -1.731 2.502) 3.202 27.891 ( 3.529 6.113 -1.103) 7.144 27.891 ( 3.529 6.113 1.103) 7.144 27.934 ( 0.685 1.186 -4.233) 4.449 27.934 ( 0.685 1.186 4.233) 4.449 28.021 ( 2.198 3.807 -2.097) 4.870 28.021 ( 2.198 3.807 2.097) 4.870 28.070 ( 1.272 2.203 -1.985) 3.226 28.070 ( 1.272 2.203 1.985) 3.226 28.165 ( 0.878 1.520 -0.959) 2.000 28.165 ( 0.878 1.520 0.959) 2.000 28.207 ( 0.852 1.475 -1.797) 2.476 28.207 ( 0.852 1.475 1.797) 2.476 28.416 ( -2.248 -3.893 -6.366) 7.793 28.416 ( -2.248 -3.893 6.366) 7.793 30.059 ( 5.113 8.857 -13.312) 16.787 30.059 ( 5.113 8.857 13.312) 16.787 30.623 ( -4.342 -7.521 -13.530) 16.078 30.623 ( -4.342 -7.521 13.530) 16.078 30.756 ( -3.940 -6.824 -8.826) 11.831 30.756 ( -3.940 -6.824 8.826) 11.831 ======================= Grid point 104 (20/21) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.521 6.430 -20.565) 21.554 1.655 ( -0.521 6.430 20.565) 21.554 1.824 ( -0.261 -1.338 -8.490) 8.598 1.824 ( -0.261 -1.338 8.490) 8.598 2.185 ( 14.085 10.256 -8.592) 19.427 2.185 ( 14.085 10.256 8.592) 19.427 2.328 ( -0.429 -2.373 -3.439) 4.200 2.328 ( -0.429 -2.373 3.439) 4.200 2.431 ( -3.161 -0.735 -0.761) 3.333 2.431 ( -3.161 -0.735 0.761) 3.333 2.456 ( -0.751 -1.273 -0.847) 1.704 2.456 ( -0.751 -1.273 0.847) 1.704 2.538 ( -2.687 -4.752 -3.234) 6.345 2.538 ( -2.687 -4.752 3.234) 6.345 2.688 ( 1.388 -0.727 -2.628) 3.060 2.688 ( 1.388 -0.727 2.628) 3.060 2.747 ( -0.638 -0.416 -0.506) 0.915 2.747 ( -0.638 -0.416 0.506) 0.915 2.763 ( -2.149 -3.467 -1.533) 4.358 2.763 ( -2.149 -3.467 1.533) 4.358 2.858 ( -2.002 -1.578 -0.967) 2.726 2.858 ( -2.002 -1.578 0.967) 2.726 2.898 ( -3.743 0.835 -10.695) 11.362 2.898 ( -3.743 0.835 10.695) 11.362 2.990 ( -1.731 -3.984 -3.019) 5.290 2.990 ( -1.731 -3.984 3.019) 5.290 3.192 ( 7.227 4.147 -1.837) 8.533 3.192 ( 7.227 4.147 1.837) 8.533 3.248 ( -0.618 1.134 -7.128) 7.244 3.248 ( -0.618 1.134 7.128) 7.244 3.403 ( 7.626 5.423 -1.970) 9.563 3.403 ( 7.626 5.423 1.970) 9.563 3.444 ( 0.660 6.320 -3.531) 7.269 3.444 ( 0.660 6.320 3.531) 7.269 3.487 ( 0.983 5.950 -1.243) 6.157 3.487 ( 0.983 5.950 1.243) 6.157 3.516 ( 2.372 3.476 -1.621) 4.510 3.516 ( 2.372 3.476 1.621) 4.510 3.575 ( 1.300 4.540 -2.222) 5.219 3.575 ( 1.300 4.540 2.222) 5.219 3.606 ( 0.208 0.574 -1.546) 1.662 3.606 ( 0.208 0.574 1.546) 1.662 3.662 ( 2.053 1.105 -1.115) 2.584 3.662 ( 2.053 1.105 1.115) 2.584 3.704 ( 0.725 0.284 -1.028) 1.289 3.704 ( 0.725 0.284 1.028) 1.289 3.737 ( 2.971 0.668 -1.280) 3.304 3.737 ( 2.971 0.668 1.280) 3.304 3.865 ( 0.739 7.331 -6.616) 9.903 3.865 ( 0.739 7.331 6.616) 9.903 4.006 ( -4.893 -1.543 -1.534) 5.355 4.006 ( -4.893 -1.543 1.534) 5.355 4.049 ( 2.705 -0.059 -0.666) 2.786 4.049 ( 2.705 -0.059 0.666) 2.786 4.090 ( -2.829 -1.304 -4.223) 5.248 4.090 ( -2.829 -1.304 4.223) 5.248 4.174 ( 3.087 -0.231 -4.356) 5.344 4.174 ( 3.087 -0.231 4.356) 5.344 4.214 ( -5.165 -3.042 -1.352) 6.145 4.214 ( -5.165 -3.042 1.352) 6.145 4.270 ( -3.880 -0.498 -1.307) 4.125 4.270 ( -3.880 -0.498 1.307) 4.125 4.300 ( -1.324 -3.496 -3.602) 5.191 4.300 ( -1.324 -3.496 3.602) 5.191 4.377 ( 1.592 -1.634 -1.624) 2.800 4.377 ( 1.592 -1.634 1.624) 2.800 4.456 ( -1.090 1.061 -4.845) 5.078 4.456 ( -1.090 1.061 4.845) 5.078 4.540 ( -0.553 -2.216 -5.912) 6.338 4.540 ( -0.553 -2.216 5.912) 6.338 4.592 ( 1.205 0.131 -7.818) 7.911 4.592 ( 1.205 0.131 7.818) 7.911 4.652 ( -1.972 -5.237 -5.827) 8.079 4.652 ( -1.972 -5.237 5.827) 8.079 4.736 ( -1.806 -3.438 -8.541) 9.382 4.736 ( -1.806 -3.438 8.541) 9.382 4.753 ( 1.067 -4.853 -7.530) 9.022 4.753 ( 1.067 -4.853 7.530) 9.022 4.879 ( -4.614 0.542 -2.025) 5.068 4.879 ( -4.614 0.542 2.025) 5.068 5.128 ( -0.522 -0.353 -2.989) 3.055 5.128 ( -0.522 -0.353 2.989) 3.055 5.221 ( -1.682 1.362 -3.542) 4.151 5.221 ( -1.682 1.362 3.542) 4.151 5.290 ( -5.467 -3.672 -4.254) 7.840 5.290 ( -5.467 -3.672 4.254) 7.840 5.421 ( 4.203 -4.536 -3.995) 7.362 5.421 ( 4.203 -4.536 3.995) 7.362 5.457 ( 2.486 -6.370 -2.710) 7.355 5.457 ( 2.486 -6.370 2.710) 7.355 5.597 ( 0.139 0.113 -7.507) 7.509 5.597 ( 0.139 0.113 7.507) 7.509 5.685 ( 1.211 2.375 -2.060) 3.369 5.685 ( 1.211 2.375 2.060) 3.369 5.764 ( -3.594 0.346 -0.973) 3.739 5.764 ( -3.594 0.346 0.973) 3.739 5.869 ( -0.450 -4.070 -3.247) 5.225 5.869 ( -0.450 -4.070 3.247) 5.225 6.170 ( 2.044 3.820 -3.163) 5.364 6.170 ( 2.044 3.820 3.163) 5.364 6.237 ( -2.793 1.135 -2.765) 4.091 6.237 ( -2.793 1.135 2.765) 4.091 6.321 ( -2.594 2.588 -6.786) 7.712 6.321 ( -2.594 2.588 6.786) 7.712 6.404 ( 1.427 1.135 -3.133) 3.626 6.404 ( 1.427 1.135 3.133) 3.626 6.436 ( -0.841 0.573 -1.705) 1.986 6.436 ( -0.841 0.573 1.705) 1.986 6.484 ( 2.728 -0.802 -5.912) 6.560 6.484 ( 2.728 -0.802 5.912) 6.560 6.526 ( -1.225 -2.034 -1.722) 2.933 6.526 ( -1.225 -2.034 1.722) 2.933 6.567 ( 2.403 -2.489 -2.742) 4.415 6.567 ( 2.403 -2.489 2.742) 4.415 6.943 ( 1.371 2.304 -2.918) 3.963 6.943 ( 1.371 2.304 2.918) 3.963 7.004 ( 0.433 1.129 -1.624) 2.025 7.004 ( 0.433 1.129 1.624) 2.025 7.235 ( -0.839 0.021 -11.418) 11.449 7.235 ( -0.839 0.021 11.418) 11.449 7.664 ( -2.217 -1.096 -11.623) 11.883 7.664 ( -2.217 -1.096 11.623) 11.883 7.681 ( 0.013 -0.994 -2.304) 2.509 7.681 ( 0.013 -0.994 2.304) 2.509 8.451 ( 3.753 4.972 -6.671) 9.127 8.451 ( 3.753 4.972 6.671) 9.127 8.599 ( -6.156 0.097 -2.711) 6.727 8.599 ( -6.156 0.097 2.711) 6.727 8.744 ( 0.822 -0.759 -19.393) 19.425 8.744 ( 0.822 -0.759 19.393) 19.425 8.871 ( 5.239 -8.286 -10.043) 14.035 8.871 ( 5.239 -8.286 10.043) 14.035 8.946 ( -3.413 5.227 -7.995) 10.143 8.946 ( -3.413 5.227 7.995) 10.143 9.054 ( 5.285 1.622 -5.297) 7.656 9.054 ( 5.285 1.622 5.297) 7.656 9.169 ( -1.802 1.728 -6.058) 6.552 9.169 ( -1.802 1.728 6.058) 6.552 9.476 ( -3.419 -3.372 -9.311) 10.476 9.476 ( -3.419 -3.372 9.311) 10.476 9.743 ( 3.069 3.623 -5.391) 7.184 9.743 ( 3.069 3.623 5.391) 7.184 9.876 ( -6.147 -3.604 -7.309) 10.208 9.876 ( -6.147 -3.604 7.309) 10.208 10.194 ( 3.780 -9.240 -6.186) 11.745 10.194 ( 3.780 -9.240 6.186) 11.745 10.689 ( -4.054 8.281 -3.203) 9.761 10.689 ( -4.054 8.281 3.203) 9.761 10.821 ( 3.812 0.459 -4.497) 5.913 10.821 ( 3.812 0.459 4.497) 5.913 12.408 ( -1.059 0.421 -4.649) 4.787 12.408 ( -1.059 0.421 4.649) 4.787 12.451 ( 0.641 -0.930 -3.812) 3.975 12.451 ( 0.641 -0.930 3.812) 3.975 12.730 ( -0.779 -0.991 -6.524) 6.644 12.730 ( -0.779 -0.991 6.524) 6.644 13.103 ( -2.030 0.618 -15.313) 15.459 13.103 ( -2.030 0.618 15.313) 15.459 13.174 ( 2.083 -2.633 -15.472) 15.832 13.174 ( 2.083 -2.633 15.472) 15.832 13.416 ( 0.533 3.236 -11.709) 12.159 13.416 ( 0.533 3.236 11.709) 12.159 14.140 ( 0.169 -1.952 -10.768) 10.945 14.140 ( 0.169 -1.952 10.768) 10.945 14.212 ( 0.003 -0.255 -2.804) 2.816 14.212 ( 0.003 -0.255 2.804) 2.816 14.241 ( -0.875 -1.619 -5.007) 5.334 14.241 ( -0.875 -1.619 5.007) 5.334 14.358 ( 0.736 3.419 -4.662) 5.828 14.358 ( 0.736 3.419 4.662) 5.828 14.455 ( -0.829 -0.803 -7.662) 7.749 14.455 ( -0.829 -0.803 7.662) 7.749 14.843 ( -0.600 -2.641 -21.275) 21.446 14.843 ( -0.600 -2.641 21.275) 21.446 15.151 ( 0.038 1.143 -3.024) 3.233 15.151 ( 0.038 1.143 3.024) 3.233 15.227 ( 1.225 1.307 -4.447) 4.794 15.227 ( 1.225 1.307 4.447) 4.794 15.266 ( -2.757 0.470 -2.800) 3.957 15.266 ( -2.757 0.470 2.800) 3.957 15.322 ( 1.038 -0.999 -2.570) 2.946 15.322 ( 1.038 -0.999 2.570) 2.946 15.576 ( 0.298 0.210 -2.269) 2.298 15.576 ( 0.298 0.210 2.269) 2.298 15.590 ( 0.966 0.133 -3.935) 4.054 15.590 ( 0.966 0.133 3.935) 4.054 19.730 ( -0.549 -0.911 -8.791) 8.855 19.730 ( -0.549 -0.911 8.791) 8.855 19.958 ( 0.845 1.685 -2.799) 3.375 19.958 ( 0.845 1.685 2.799) 3.375 20.024 ( -0.539 -1.197 -3.272) 3.526 20.024 ( -0.539 -1.197 3.272) 3.526 25.290 ( -0.591 -2.396 -5.722) 6.231 25.290 ( -0.591 -2.396 5.722) 6.231 25.563 ( 0.854 4.155 -4.154) 5.937 25.563 ( 0.854 4.155 4.154) 5.937 25.734 ( -1.674 -3.865 -5.448) 6.887 25.734 ( -1.674 -3.865 5.448) 6.887 27.208 ( -0.151 -1.161 -0.424) 1.246 27.208 ( -0.151 -1.161 0.424) 1.246 27.257 ( -0.280 0.106 -0.336) 0.450 27.257 ( -0.280 0.106 0.336) 0.450 27.319 ( 4.282 -0.825 -0.736) 4.423 27.319 ( 4.282 -0.825 0.736) 4.423 27.427 ( -1.489 -1.649 -2.964) 3.705 27.427 ( -1.489 -1.649 2.964) 3.705 27.521 ( 0.832 3.067 -4.673) 5.651 27.521 ( 0.832 3.067 4.673) 5.651 27.570 ( -3.208 0.703 -2.413) 4.075 27.570 ( -3.208 0.703 2.413) 4.075 27.671 ( -2.853 2.881 -4.386) 5.973 27.671 ( -2.853 2.881 4.386) 5.973 27.783 ( 6.107 0.650 -4.583) 7.663 27.783 ( 6.107 0.650 4.583) 7.663 27.897 ( -3.047 -3.819 -6.639) 8.243 27.897 ( -3.047 -3.819 6.639) 8.243 27.993 ( 1.401 4.400 -0.395) 4.635 27.993 ( 1.401 4.400 0.395) 4.635 28.062 ( -1.550 3.785 -3.000) 5.073 28.062 ( -1.550 3.785 3.000) 5.073 28.151 ( 4.133 0.781 -1.753) 4.557 28.151 ( 4.133 0.781 1.753) 4.557 28.189 ( 0.019 0.206 -1.515) 1.530 28.189 ( 0.019 0.206 1.515) 1.530 28.228 ( 1.308 -0.021 -2.658) 2.963 28.228 ( 1.308 -0.021 2.658) 2.963 28.342 ( -1.819 -2.587 -5.788) 6.596 28.342 ( -1.819 -2.587 5.788) 6.596 30.235 ( 5.735 5.494 -17.506) 19.224 30.235 ( 5.735 5.494 17.506) 19.224 30.481 ( -5.100 -3.038 -12.800) 14.110 30.481 ( -5.100 -3.038 12.800) 14.110 30.624 ( -2.357 -5.942 -10.601) 12.379 30.624 ( -2.357 -5.942 10.601) 12.379 ======================= Grid point 116 (21/21) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 17 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -2.269 -3.930 -12.733) 13.517 1.779 ( 2.269 3.930 -12.733) 13.517 1.779 ( -2.269 -3.930 12.733) 13.517 1.779 ( 2.269 3.930 12.733) 13.517 2.239 ( -0.000 -0.000 -5.420) 5.420 2.239 ( -0.000 -0.000 5.420) 5.420 2.307 ( -0.000 -0.000 -6.606) 6.606 2.307 ( -0.000 -0.000 6.606) 6.606 2.427 ( -0.808 -1.400 -2.017) 2.585 2.427 ( 0.808 1.400 -2.017) 2.585 2.427 ( -0.808 -1.400 2.017) 2.585 2.427 ( 0.808 1.400 2.017) 2.585 2.610 ( -3.830 -6.633 -4.251) 8.760 2.610 ( -3.830 -6.633 4.251) 8.760 2.610 ( 3.830 6.633 -4.251) 8.760 2.610 ( 3.830 6.633 4.251) 8.760 2.689 ( -0.000 -0.000 -2.088) 2.088 2.689 ( -0.000 -0.000 2.088) 2.088 2.808 ( -1.696 -2.938 -2.117) 3.999 2.808 ( -1.696 -2.938 2.117) 3.999 2.808 ( 1.696 2.938 -2.117) 3.999 2.808 ( 1.696 2.938 2.117) 3.999 2.854 ( -0.000 -0.000 -23.120) 23.120 2.854 ( -0.000 -0.000 23.120) 23.120 2.947 ( -0.000 -0.000 -1.468) 1.468 2.947 ( -0.000 -0.000 1.468) 1.468 3.254 ( -0.692 -1.199 -6.071) 6.226 3.254 ( 0.692 1.199 -6.071) 6.226 3.254 ( -0.692 -1.199 6.071) 6.226 3.254 ( 0.692 1.199 6.071) 6.226 3.451 ( -0.000 -0.000 -1.214) 1.214 3.451 ( -0.000 -0.000 1.215) 1.215 3.525 ( -2.018 -3.496 -2.478) 4.737 3.525 ( -2.018 -3.496 2.478) 4.737 3.525 ( 2.018 3.496 -2.478) 4.737 3.525 ( 2.018 3.496 2.478) 4.737 3.596 ( -1.062 -1.840 -2.406) 3.210 3.596 ( 1.062 1.840 -2.406) 3.210 3.596 ( -1.062 -1.840 2.406) 3.210 3.596 ( 1.062 1.840 2.406) 3.210 3.633 ( 0.000 0.000 -3.965) 3.965 3.633 ( 0.000 0.000 3.965) 3.965 3.691 ( -0.000 -0.000 -2.708) 2.708 3.691 ( -0.000 -0.000 2.708) 2.708 3.744 ( -0.649 -1.124 -3.538) 3.768 3.744 ( 0.649 1.124 -3.538) 3.768 3.744 ( -0.649 -1.124 3.538) 3.768 3.744 ( 0.649 1.124 3.538) 3.768 4.016 ( 0.000 0.000 -2.647) 2.647 4.016 ( -0.000 -0.000 2.647) 2.647 4.022 ( -3.485 -6.036 -4.358) 8.221 4.022 ( -3.485 -6.036 4.358) 8.221 4.022 ( 3.485 6.036 -4.358) 8.221 4.022 ( 3.485 6.036 4.358) 8.221 4.109 ( 0.000 0.000 -6.829) 6.829 4.109 ( 0.000 0.000 6.829) 6.829 4.110 ( -2.834 -4.909 -7.103) 9.087 4.110 ( 2.834 4.909 -7.103) 9.087 4.110 ( -2.834 -4.909 7.103) 9.087 4.110 ( 2.834 4.909 7.103) 9.087 4.277 ( -0.722 -1.251 -6.256) 6.421 4.277 ( 0.722 1.251 -6.256) 6.421 4.277 ( -0.722 -1.251 6.256) 6.421 4.277 ( 0.722 1.251 6.256) 6.421 4.356 ( 0.000 0.000 -10.897) 10.897 4.356 ( -0.000 -0.000 10.897) 10.897 4.475 ( -0.958 -1.659 -5.820) 6.127 4.475 ( 0.958 1.659 -5.820) 6.127 4.475 ( -0.958 -1.659 5.820) 6.127 4.475 ( 0.958 1.659 5.820) 6.127 4.579 ( -0.000 -0.000 -5.958) 5.958 4.579 ( -0.000 -0.000 5.958) 5.958 4.664 ( -1.994 -3.453 -11.468) 12.141 4.664 ( 1.994 3.453 -11.468) 12.141 4.664 ( -1.994 -3.453 11.468) 12.141 4.664 ( 1.994 3.453 11.468) 12.141 4.687 ( -0.000 -0.000 -8.298) 8.298 4.687 ( -0.000 -0.000 8.298) 8.298 4.884 ( -0.000 -0.000 -2.808) 2.808 4.884 ( -0.000 -0.000 2.808) 2.808 5.118 ( -0.000 -0.000 -3.278) 3.278 5.118 ( -0.000 -0.000 3.278) 3.278 5.264 ( -1.450 -2.511 -3.343) 4.425 5.264 ( 1.450 2.511 -3.343) 4.425 5.264 ( -1.450 -2.511 3.343) 4.425 5.264 ( 1.450 2.511 3.343) 4.425 5.349 ( -0.676 -1.171 -10.912) 10.996 5.349 ( 0.676 1.171 -10.912) 10.996 5.349 ( -0.676 -1.171 10.912) 10.996 5.349 ( 0.676 1.171 10.912) 10.996 5.602 ( -0.000 -0.000 -11.932) 11.932 5.602 ( -0.000 -0.000 11.932) 11.932 5.765 ( -1.972 -3.416 -4.582) 6.046 5.765 ( 1.972 3.416 -4.582) 6.046 5.765 ( -1.972 -3.416 4.582) 6.046 5.765 ( 1.972 3.416 4.582) 6.046 5.788 ( -0.000 -0.000 -9.646) 9.646 5.788 ( 0.000 0.000 9.646) 9.646 6.231 ( -0.957 -1.657 -3.634) 4.107 6.231 ( 0.957 1.657 -3.634) 4.107 6.231 ( -0.957 -1.657 3.634) 4.107 6.231 ( 0.957 1.657 3.634) 4.107 6.374 ( -1.318 -2.283 -6.623) 7.128 6.374 ( 1.318 2.283 -6.623) 7.128 6.374 ( -1.318 -2.283 6.623) 7.128 6.374 ( 1.318 2.283 6.623) 7.128 6.481 ( -0.901 -1.561 -6.080) 6.341 6.481 ( 0.901 1.561 -6.080) 6.341 6.481 ( -0.901 -1.561 6.080) 6.341 6.481 ( 0.901 1.561 6.080) 6.341 6.481 ( 0.000 0.000 -13.647) 13.647 6.481 ( 0.000 0.000 13.647) 13.647 6.535 ( -0.000 -0.000 -7.563) 7.563 6.535 ( -0.000 -0.000 7.563) 7.563 6.992 ( -1.092 -1.892 -2.291) 3.165 6.992 ( 1.092 1.892 -2.291) 3.165 6.992 ( -1.092 -1.892 2.291) 3.165 6.992 ( 1.092 1.892 2.291) 3.165 7.233 ( -0.000 -0.000 -12.340) 12.340 7.233 ( -0.000 -0.000 12.340) 12.340 7.666 ( -0.326 -0.565 -6.587) 6.619 7.666 ( 0.326 0.565 -6.587) 6.619 7.666 ( -0.326 -0.565 6.587) 6.619 7.666 ( 0.326 0.565 6.587) 6.619 8.564 ( -2.417 -4.187 -1.785) 5.154 8.564 ( -2.417 -4.187 1.785) 5.154 8.564 ( 2.417 4.187 -1.785) 5.154 8.564 ( 2.417 4.187 1.785) 5.154 8.733 ( -0.000 -0.000 -19.010) 19.010 8.733 ( -0.000 -0.000 19.010) 19.010 8.757 ( 0.000 0.000 -17.856) 17.856 8.757 ( -0.000 -0.000 17.856) 17.856 9.010 ( -0.000 -0.000 -6.610) 6.610 9.010 ( -0.000 -0.000 6.610) 6.610 9.126 ( -2.604 -4.509 -7.722) 9.313 9.126 ( 2.604 4.509 -7.722) 9.313 9.126 ( -2.604 -4.509 7.722) 9.313 9.126 ( 2.604 4.509 7.722) 9.313 9.438 ( -0.000 -0.000 -10.226) 10.226 9.438 ( -0.000 -0.000 10.226) 10.226 9.811 ( -1.633 -2.828 -7.857) 8.508 9.811 ( 1.633 2.828 -7.857) 8.508 9.811 ( -1.633 -2.828 7.857) 8.508 9.811 ( 1.633 2.828 7.857) 8.508 10.096 ( -0.000 -0.000 -8.009) 8.009 10.096 ( -0.000 -0.000 8.009) 8.009 10.800 ( -1.483 -2.569 -3.975) 4.960 10.800 ( 1.483 2.569 -3.975) 4.960 10.800 ( -1.483 -2.569 3.975) 4.960 10.800 ( 1.483 2.569 3.975) 4.960 12.427 ( -0.660 -1.144 -4.329) 4.526 12.427 ( 0.660 1.144 -4.329) 4.526 12.427 ( -0.660 -1.144 4.329) 4.526 12.427 ( 0.660 1.144 4.329) 4.526 12.721 ( -0.000 -0.000 -6.899) 6.899 12.721 ( -0.000 -0.000 6.899) 6.899 13.128 ( -0.922 -1.597 -16.059) 16.164 13.128 ( 0.922 1.597 -16.059) 16.164 13.128 ( -0.922 -1.597 16.059) 16.164 13.128 ( 0.922 1.597 16.059) 16.164 13.451 ( -0.000 -0.000 -11.852) 11.852 13.451 ( -0.000 -0.000 11.852) 11.852 14.114 ( -0.000 -0.000 -13.716) 13.716 14.114 ( -0.000 -0.000 13.716) 13.716 14.216 ( -0.365 -0.632 -3.678) 3.750 14.216 ( 0.365 0.632 -3.678) 3.750 14.216 ( -0.365 -0.632 3.678) 3.750 14.216 ( 0.365 0.632 3.678) 3.750 14.423 ( -1.312 -2.273 -5.969) 6.521 14.423 ( 1.312 2.273 -5.969) 6.521 14.423 ( -1.312 -2.273 5.969) 6.521 14.423 ( 1.312 2.273 5.969) 6.521 14.812 ( -0.000 -0.000 -22.175) 22.175 14.812 ( -0.000 -0.000 22.175) 22.175 15.164 ( -0.000 -0.000 -5.670) 5.670 15.164 ( -0.000 -0.000 5.670) 5.670 15.258 ( -0.617 -1.068 -4.286) 4.460 15.258 ( 0.617 1.068 -4.286) 4.460 15.258 ( -0.617 -1.068 4.286) 4.460 15.258 ( 0.617 1.068 4.286) 4.460 15.312 ( 0.000 0.000 -5.126) 5.126 15.312 ( -0.000 -0.000 5.126) 5.126 15.583 ( -0.281 -0.486 -2.697) 2.755 15.583 ( 0.281 0.486 -2.697) 2.755 15.583 ( -0.281 -0.486 2.697) 2.755 15.583 ( 0.281 0.486 2.697) 2.755 19.720 ( -0.000 -0.000 -9.217) 9.217 19.720 ( -0.000 -0.000 9.217) 9.217 19.994 ( -0.896 -1.552 -2.978) 3.476 19.994 ( 0.896 1.552 -2.978) 3.476 19.994 ( -0.896 -1.552 2.978) 3.476 19.994 ( 0.896 1.552 2.978) 3.476 25.264 ( -0.000 -0.000 -7.039) 7.039 25.264 ( -0.000 -0.000 7.039) 7.039 25.651 ( -2.246 -3.891 -4.413) 6.297 25.651 ( 2.246 3.891 -4.413) 6.297 25.651 ( -2.246 -3.891 4.413) 6.297 25.651 ( 2.246 3.891 4.413) 6.297 27.189 ( -0.000 -0.000 -1.006) 1.006 27.189 ( -0.000 -0.000 1.006) 1.006 27.286 ( -1.077 -1.865 -1.117) 2.426 27.286 ( -1.077 -1.865 1.117) 2.426 27.286 ( 1.077 1.865 -1.117) 2.426 27.286 ( 1.077 1.865 1.117) 2.426 27.410 ( -0.000 -0.000 -6.491) 6.491 27.410 ( -0.000 -0.000 6.491) 6.491 27.558 ( -0.562 -0.973 -5.775) 5.883 27.558 ( 0.562 0.973 -5.775) 5.883 27.558 ( -0.562 -0.973 5.775) 5.883 27.558 ( 0.562 0.973 5.775) 5.883 27.777 ( -2.060 -3.568 -3.626) 5.488 27.777 ( 2.060 3.568 -3.626) 5.488 27.777 ( -2.060 -3.568 3.626) 5.488 27.777 ( 2.060 3.568 3.626) 5.488 27.807 ( -0.000 -0.000 -9.714) 9.714 27.807 ( 0.000 0.000 9.714) 9.714 28.064 ( -0.000 -0.000 -1.474) 1.474 28.064 ( -0.000 -0.000 1.474) 1.474 28.119 ( -1.194 -2.067 -3.691) 4.395 28.119 ( 1.194 2.067 -3.691) 4.395 28.119 ( -1.194 -2.067 3.691) 4.395 28.119 ( 1.194 2.067 3.691) 4.395 28.214 ( -0.680 -1.178 -2.164) 2.556 28.214 ( 0.680 1.178 -2.164) 2.556 28.214 ( -0.680 -1.178 2.164) 2.556 28.214 ( 0.680 1.178 2.164) 2.556 28.312 ( -0.000 -0.000 -5.889) 5.889 28.312 ( -0.000 -0.000 5.889) 5.889 30.287 ( -0.000 -0.000 -18.552) 18.552 30.287 ( -0.000 -0.000 18.552) 18.552 30.507 ( -2.544 -4.407 -11.612) 12.678 30.507 ( 2.544 4.407 -11.612) 12.678 30.507 ( -2.544 -4.407 11.612) 12.678 30.507 ( 2.544 4.407 11.612) 12.678 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33696 10.0 1885.418 1885.418 2332.783 -0.000 -0.000 -0.000 3/33696 20.0 113.230 113.230 144.432 -0.000 0.000 -0.000 3/33696 30.0 29.451 29.451 38.643 0.000 0.000 0.000 3/33696 40.0 14.005 14.005 18.491 0.000 0.000 0.000 3/33696 50.0 8.669 8.669 11.488 0.000 0.000 0.000 3/33696 60.0 6.168 6.168 8.208 0.000 0.000 0.000 3/33696 70.0 4.768 4.768 6.376 0.000 0.000 0.000 3/33696 80.0 3.887 3.887 5.230 0.000 0.000 0.000 3/33696 90.0 3.287 3.287 4.453 0.000 0.000 0.000 3/33696 100.0 2.853 2.853 3.894 0.000 0.000 0.000 3/33696 110.0 2.525 2.525 3.475 0.000 0.000 0.000 3/33696 120.0 2.269 2.269 3.150 0.000 0.000 0.000 3/33696 130.0 2.062 2.062 2.889 0.000 0.000 0.000 3/33696 140.0 1.892 1.892 2.675 0.000 0.000 0.000 3/33696 150.0 1.750 1.750 2.495 0.000 0.000 0.000 3/33696 160.0 1.629 1.629 2.343 0.000 0.000 0.000 3/33696 170.0 1.524 1.524 2.211 0.000 0.000 0.000 3/33696 180.0 1.433 1.433 2.095 0.000 0.000 0.000 3/33696 190.0 1.353 1.353 1.993 0.000 0.000 0.000 3/33696 200.0 1.282 1.282 1.901 0.000 0.000 0.000 3/33696 210.0 1.218 1.218 1.819 0.000 0.000 0.000 3/33696 220.0 1.161 1.161 1.744 0.000 0.000 0.000 3/33696 230.0 1.109 1.109 1.675 0.000 0.000 0.000 3/33696 240.0 1.062 1.062 1.613 0.000 0.000 0.000 3/33696 250.0 1.018 1.018 1.555 0.000 0.000 0.000 3/33696 260.0 0.979 0.979 1.501 0.000 0.000 0.000 3/33696 270.0 0.942 0.942 1.451 0.000 0.000 0.000 3/33696 280.0 0.909 0.909 1.405 0.000 0.000 0.000 3/33696 290.0 0.877 0.877 1.362 0.000 0.000 0.000 3/33696 300.0 0.848 0.848 1.321 0.000 0.000 0.000 3/33696 310.0 0.821 0.821 1.283 0.000 0.000 0.000 3/33696 320.0 0.796 0.796 1.247 0.000 0.000 0.000 3/33696 330.0 0.772 0.772 1.213 0.000 0.000 0.000 3/33696 340.0 0.749 0.749 1.181 0.000 0.000 0.000 3/33696 350.0 0.728 0.728 1.150 0.000 0.000 0.000 3/33696 360.0 0.708 0.708 1.121 0.000 0.000 0.000 3/33696 370.0 0.690 0.690 1.094 0.000 0.000 0.000 3/33696 380.0 0.672 0.672 1.068 0.000 0.000 0.000 3/33696 390.0 0.655 0.655 1.043 0.000 0.000 0.000 3/33696 400.0 0.639 0.639 1.019 0.000 0.000 0.000 3/33696 410.0 0.624 0.624 0.996 0.000 0.000 0.000 3/33696 420.0 0.609 0.609 0.975 0.000 0.000 0.000 3/33696 430.0 0.595 0.595 0.954 0.000 0.000 0.000 3/33696 440.0 0.582 0.582 0.934 0.000 0.000 0.000 3/33696 450.0 0.569 0.569 0.915 0.000 0.000 0.000 3/33696 460.0 0.557 0.557 0.896 0.000 0.000 0.000 3/33696 470.0 0.546 0.546 0.879 0.000 0.000 0.000 3/33696 480.0 0.535 0.535 0.862 0.000 0.000 0.000 3/33696 490.0 0.524 0.524 0.845 0.000 0.000 0.000 3/33696 500.0 0.514 0.514 0.830 0.000 0.000 0.000 3/33696 510.0 0.504 0.504 0.815 0.000 0.000 0.000 3/33696 520.0 0.494 0.494 0.800 0.000 0.000 0.000 3/33696 530.0 0.485 0.485 0.786 0.000 0.000 0.000 3/33696 540.0 0.476 0.476 0.772 0.000 0.000 0.000 3/33696 550.0 0.468 0.468 0.759 0.000 0.000 0.000 3/33696 560.0 0.460 0.460 0.746 0.000 0.000 0.000 3/33696 570.0 0.452 0.452 0.734 0.000 0.000 0.000 3/33696 580.0 0.444 0.444 0.722 0.000 0.000 0.000 3/33696 590.0 0.437 0.437 0.711 0.000 0.000 0.000 3/33696 600.0 0.430 0.430 0.700 0.000 0.000 0.000 3/33696 610.0 0.423 0.423 0.689 0.000 0.000 0.000 3/33696 620.0 0.416 0.416 0.678 0.000 0.000 0.000 3/33696 630.0 0.410 0.410 0.668 0.000 0.000 0.000 3/33696 640.0 0.403 0.403 0.658 0.000 0.000 0.000 3/33696 650.0 0.397 0.397 0.648 0.000 0.000 0.000 3/33696 660.0 0.391 0.391 0.639 0.000 0.000 0.000 3/33696 670.0 0.386 0.386 0.630 0.000 0.000 0.000 3/33696 680.0 0.380 0.380 0.621 0.000 0.000 0.000 3/33696 690.0 0.375 0.375 0.613 0.000 0.000 0.000 3/33696 700.0 0.370 0.370 0.604 0.000 0.000 0.000 3/33696 710.0 0.364 0.364 0.596 0.000 0.000 0.000 3/33696 720.0 0.359 0.359 0.588 0.000 0.000 0.000 3/33696 730.0 0.355 0.355 0.581 0.000 0.000 0.000 3/33696 740.0 0.350 0.350 0.573 0.000 0.000 0.000 3/33696 750.0 0.345 0.345 0.566 0.000 0.000 0.000 3/33696 760.0 0.341 0.341 0.559 0.000 0.000 0.000 3/33696 770.0 0.337 0.337 0.552 0.000 0.000 0.000 3/33696 780.0 0.332 0.332 0.545 0.000 0.000 0.000 3/33696 790.0 0.328 0.328 0.538 0.000 0.000 0.000 3/33696 800.0 0.324 0.324 0.532 0.000 0.000 0.000 3/33696 810.0 0.320 0.320 0.525 0.000 0.000 0.000 3/33696 820.0 0.316 0.316 0.519 0.000 0.000 0.000 3/33696 830.0 0.313 0.313 0.513 0.000 0.000 0.000 3/33696 840.0 0.309 0.309 0.507 0.000 0.000 0.000 3/33696 850.0 0.305 0.305 0.502 0.000 0.000 0.000 3/33696 860.0 0.302 0.302 0.496 0.000 0.000 0.000 3/33696 870.0 0.298 0.298 0.490 0.000 0.000 0.000 3/33696 880.0 0.295 0.295 0.485 0.000 0.000 0.000 3/33696 890.0 0.292 0.292 0.480 0.000 0.000 0.000 3/33696 900.0 0.289 0.289 0.475 0.000 0.000 0.000 3/33696 910.0 0.286 0.286 0.470 0.000 0.000 0.000 3/33696 920.0 0.282 0.282 0.465 0.000 0.000 0.000 3/33696 930.0 0.279 0.279 0.460 0.000 0.000 0.000 3/33696 940.0 0.277 0.277 0.455 0.000 0.000 0.000 3/33696 950.0 0.274 0.274 0.450 0.000 0.000 0.000 3/33696 960.0 0.271 0.271 0.446 0.000 0.000 0.000 3/33696 970.0 0.268 0.268 0.441 0.000 0.000 0.000 3/33696 980.0 0.265 0.265 0.437 0.000 0.000 0.000 3/33696 990.0 0.263 0.263 0.433 0.000 0.000 0.000 3/33696 1000.0 0.260 0.260 0.428 0.000 0.000 0.000 3/33696 Thermal conductivity related properties were written into "kappa-m664.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:30:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|